CID 445995

Geranyl diphosphate

Structural Information

Molecular Formula
C10H20O7P2
SMILES
CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)C
InChI
InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
InChIKey
GVVPGTZRZFNKDS-JXMROGBWSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

206
References

89333
Patents

314.06842 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07570 175.6
[M+Na]+ 337.05764 172.2
[M-H]- 313.06114 167.3
[M+NH4]+ 332.10224 170.4
[M+K]+ 353.03158 178.8
[M+H-H2O]+ 297.06568 166.7
[M+HCOO]- 359.06662 183.0
[M+CH3COO]- 373.08227 197.5
[M+Na-2H]- 335.04309 173.7
[M]+ 314.06787 164.7
[M]- 314.06897 164.7
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