CID 131821852

Lysopa(a-13:0/0:0)

Structural Information

Molecular Formula
C16H33O7P
SMILES
CCC(C)CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C16H33O7P/c1-3-14(2)10-8-6-4-5-7-9-11-16(18)22-12-15(17)13-23-24(19,20)21/h14-15,17H,3-13H2,1-2H3,(H2,19,20,21)
InChIKey
JKRXHZXDGVADEJ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) 10-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.19638 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20366 190.3
[M+Na]+ 391.18560 193.9
[M-H]- 367.18910 185.6
[M+NH4]+ 386.23020 191.5
[M+K]+ 407.15954 194.9
[M+H-H2O]+ 351.19364 186.5
[M+HCOO]- 413.19458 197.7
[M+CH3COO]- 427.21023 211.1
[M+Na-2H]- 389.17105 189.7
[M]+ 368.19583 187.6
[M]- 368.19693 187.6
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.