PubChemLite - Geranylgeranyl pyrophosphate (C20H36O7P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+

InChIKey

OINNEUNVOZHBOX-QIRCYJPOSA-N

Compound name

phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] 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]+	451.20091	200.1
[M+Na]+	473.18285	204.6
[M-H]-	449.18635	200.1
[M+NH4]+	468.22745	205.8
[M+K]+	489.15679	199.9
[M+H-H2O]+	433.19089	183.6
[M+HCOO]-	495.19183	207.8
[M+CH3COO]-	509.20748	225.4
[M+Na-2H]-	471.16830	186.6
[M]+	450.19308	196.3
[M]-	450.19418	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.20091

200.1

[M+Na]+

473.18285

204.6

[M-H]-

449.18635

200.1

[M+NH4]+

468.22745

205.8

[M+K]+

489.15679

199.9

[M+H-H2O]+

433.19089

183.6

[M+HCOO]-

495.19183

207.8

[M+CH3COO]-

509.20748

225.4

[M+Na-2H]-

471.16830

186.6

[M]+

450.19308

196.3

[M]-

450.19418

196.3

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

Geranylgeranyl pyrophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe