CID 86289251

1-heptadecylglycerone 3-phosphate(2-)

Structural Information

Molecular Formula
C20H41O6P
SMILES
CCCCCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C20H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-18-20(21)19-26-27(22,23)24/h2-19H2,1H3,(H2,22,23,24)
InChIKey
RSIYSAVOBAUEIJ-UHFFFAOYSA-N
Compound name
(3-heptadecoxy-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.26407 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.27135 204.0
[M+Na]+ 431.25329 209.7
[M+NH4]+ 426.29789 209.4
[M+K]+ 447.22723 206.3
[M-H]- 407.25679 197.0
[M+Na-2H]- 429.23874 200.0
[M]+ 408.26352 204.6
[M]- 408.26462 204.6
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.