CID 25244233

Tetrahydrogeranylgeranyl diphosphate

Structural Information

Molecular Formula
C20H40O7P2
SMILES
CC(CCCC(C)CCC=C(C)C)CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/C
InChI
InChI=1S/C20H40O7P2/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/h9,15,18-19H,6-8,10-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+
InChIKey
VZBGWADXUJSBTI-HMMYKYKNSA-N
Compound name
phosphono [(2E)-3,7,11,15-tetramethylhexadeca-2,14-dienyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

454.2249 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.23218 204.0
[M+Na]+ 477.21412 207.2
[M-H]- 453.21762 202.3
[M+NH4]+ 472.25872 209.0
[M+K]+ 493.18806 203.4
[M+H-H2O]+ 437.22216 187.3
[M+HCOO]- 499.22310 210.0
[M+CH3COO]- 513.23875 228.5
[M+Na-2H]- 475.19957 189.5
[M]+ 454.22435 200.5
[M]- 454.22545 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.