CID 52929755

Pa(15:1(9z)/0:0)

Structural Information

Molecular Formula
C18H35O7P
SMILES
CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C18H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(20)24-15-17(19)16-25-26(21,22)23/h6-7,17,19H,2-5,8-16H2,1H3,(H2,21,22,23)/b7-6-/t17-/m1/s1
InChIKey
WMIBCBLHUXDTKT-JTGQJZMRSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.21204 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21932 195.9
[M+Na]+ 417.20126 199.2
[M-H]- 393.20476 189.7
[M+NH4]+ 412.24586 195.8
[M+K]+ 433.17520 193.2
[M+H-H2O]+ 377.20930 193.5
[M+HCOO]- 439.21024 205.7
[M+CH3COO]- 453.22589 214.6
[M+Na-2H]- 415.18671 182.7
[M]+ 394.21149 192.7
[M]- 394.21259 192.7
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.