CID 447277

Geranylgeranyl pyrophosphate

Structural Information

Molecular Formula
C20H36O7P2
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

compound 2d structure
4
Annotation Hits

576
References

8726
Patents

450.19363 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.20091 200.1
[M+Na]+ 473.18285 204.6
[M+NH4]+ 468.22745 206.5
[M+K]+ 489.15679 200.9
[M-H]- 449.18635 198.0
[M+Na-2H]- 471.16830 207.0
[M]+ 450.19308 200.3
[M]- 450.19418 200.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe