CID 51351720

(e)-2-methylgeranyl diphosphate(3-)

Structural Information

Molecular Formula
C11H22O7P2
SMILES
CC(=CCC/C(=C(\C)/COP(=O)(O)OP(=O)(O)O)/C)C
InChI
InChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/b11-10+
InChIKey
PRUWPPRJQIGKNB-ZHACJKMWSA-N
Compound name
phosphono [(2E)-2,3,7-trimethylocta-2,6-dienyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

328.08408 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09136 171.3
[M+Na]+ 351.07330 175.8
[M-H]- 327.07680 171.7
[M+NH4]+ 346.11790 175.2
[M+K]+ 367.04724 167.8
[M+H-H2O]+ 311.08134 170.6
[M+HCOO]- 373.08228 183.5
[M+CH3COO]- 387.09793 201.3
[M+Na-2H]- 349.05875 160.5
[M]+ 328.08353 168.1
[M]- 328.08463 168.1
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