CID 171118829

1-vaccenyl glycerone-3-phosphate

Structural Information

Molecular Formula
C21H41O6P
SMILES
CCCCCC/C=C\CCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h7-8H,2-6,9-20H2,1H3,(H2,23,24,25)/b8-7-
InChIKey
MTDXNCTXCHVACB-FPLPWBNLSA-N
Compound name
[3-[(Z)-octadec-11-enoxy]-2-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.26407 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.27135 204.9
[M+Na]+ 443.25329 208.6
[M-H]- 419.25679 195.6
[M+NH4]+ 438.29789 204.5
[M+K]+ 459.22723 203.4
[M+H-H2O]+ 403.26133 196.0
[M+HCOO]- 465.26227 217.4
[M+CH3COO]- 479.27792 223.7
[M+Na-2H]- 441.23874 190.9
[M]+ 420.26352 202.5
[M]- 420.26462 202.5
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.