CID 171118815

1-gondyl glycerone-3-phosphate

Structural Information

Molecular Formula
C23H45O6P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C23H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-21-23(24)22-29-30(25,26)27/h9-10H,2-8,11-22H2,1H3,(H2,25,26,27)/b10-9-
InChIKey
XJFDADASTBKBFC-KTKRTIGZSA-N
Compound name
[3-[(Z)-icos-11-enoxy]-2-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.29538 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.30266 212.2
[M+Na]+ 471.28460 215.6
[M-H]- 447.28810 202.2
[M+NH4]+ 466.32920 211.8
[M+K]+ 487.25854 211.2
[M+H-H2O]+ 431.29264 203.0
[M+HCOO]- 493.29358 223.9
[M+CH3COO]- 507.30923 229.5
[M+Na-2H]- 469.27005 197.3
[M]+ 448.29483 209.7
[M]- 448.29593 209.7
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.