CID 86289251

1-heptadecylglycerone 3-phosphate

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
2
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 203.4
[M+Na]+ 431.25329 206.7
[M-H]- 407.25679 193.7
[M+NH4]+ 426.29789 202.8
[M+K]+ 447.22723 201.6
[M+H-H2O]+ 391.26133 200.7
[M+HCOO]- 453.26227 215.5
[M+CH3COO]- 467.27792 222.2
[M+Na-2H]- 429.23874 189.4
[M]+ 408.26352 201.3
[M]- 408.26462 201.3
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.