CID 86289247

1-tetradecylglycerone 3-phosphate

Structural Information

Molecular Formula
C17H35O6P
SMILES
CCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C17H35O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-17(18)16-23-24(19,20)21/h2-16H2,1H3,(H2,19,20,21)
InChIKey
LDWCSWDPJMQCHY-UHFFFAOYSA-N
Compound name
(2-oxo-3-tetradecoxypropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

366.21713 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22441 196.6
[M+Na]+ 389.20635 198.2
[M-H]- 365.20985 183.7
[M+NH4]+ 384.25095 191.7
[M+K]+ 405.18029 195.9
[M+H-H2O]+ 349.21439 187.7
[M+HCOO]- 411.21533 205.5
[M+CH3COO]- 425.23098 213.4
[M+Na-2H]- 387.19180 193.5
[M]+ 366.21658 190.4
[M]- 366.21768 190.4
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.