CID 86583471

(2e,6e,10e)-omega-hydroxyfarnesyl diphosphate(3-)

Structural Information

Molecular Formula
C15H28O8P2
SMILES
C/C(=C\CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/CC/C=C(\C)/CO
InChI
InChI=1S/C15H28O8P2/c1-13(7-5-9-15(3)12-16)6-4-8-14(2)10-11-22-25(20,21)23-24(17,18)19/h6,9-10,16H,4-5,7-8,11-12H2,1-3H3,(H,20,21)(H2,17,18,19)/b13-6+,14-10+,15-9+
InChIKey
SYIRLGLBHJFFBK-RDUMTQBOSA-N
Compound name
[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.12595 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13323 186.6
[M+Na]+ 421.11517 189.3
[M-H]- 397.11867 186.3
[M+NH4]+ 416.15977 189.0
[M+K]+ 437.08911 182.4
[M+H-H2O]+ 381.12321 169.0
[M+HCOO]- 443.12415 196.1
[M+CH3COO]- 457.13980 211.6
[M+Na-2H]- 419.10062 173.0
[M]+ 398.12540 181.9
[M]- 398.12650 181.9
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.