PubChemLite - All-trans-pentaprenyl diphosphate (C25H44O7P2)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)C

InChI

InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+

InChIKey

JMVSBFJBMXQNJW-GIXZANJISA-N

Compound name

[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl] phosphono hydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	519.26348	215.3
[M+Na]+	541.24542	219.9
[M-H]-	517.24892	215.6
[M+NH4]+	536.29002	222.7
[M+K]+	557.21936	217.3
[M+H-H2O]+	501.25346	198.8
[M+HCOO]-	563.25440	219.4
[M+CH3COO]-	577.27005	239.0
[M+Na-2H]-	539.23087	200.7
[M]+	518.25565	211.5
[M]-	518.25675	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.26348

215.3

[M+Na]+

541.24542

219.9

[M-H]-

517.24892

215.6

[M+NH4]+

536.29002

222.7

[M+K]+

557.21936

217.3

[M+H-H2O]+

501.25346

198.8

[M+HCOO]-

563.25440

219.4

[M+CH3COO]-

577.27005

239.0

[M+Na-2H]-

539.23087

200.7

[M]+

518.25565

211.5

[M]-

518.25675

211.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

All-trans-pentaprenyl diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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