PubChemLite - All-trans-hexaprenyl diphosphate (C30H52O7P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+

InChIKey

NGFSMHKFTZROKJ-MMSZMYIBSA-N

Compound name

[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] 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]+	587.32613	230.5
[M+Na]+	609.30807	235.0
[M+NH4]+	604.35267	238.3
[M+K]+	625.28201	233.0
[M-H]-	585.31157	229.0
[M+Na-2H]-	607.29352	235.6
[M]+	586.31830	231.4
[M]-	586.31940	231.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.32613

230.5

[M+Na]+

609.30807

235.0

[M+NH4]+

604.35267

238.3

[M+K]+

625.28201

233.0

[M-H]-

585.31157

229.0

[M+Na-2H]-

607.29352

235.6

[M]+

586.31830

231.4

[M]-

586.31940

231.4

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

All-trans-hexaprenyl diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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