CID 87980423

Schembl6358460

Structural Information

Molecular Formula
C27H53O7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C27H53O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h9-10,26,28H,2-8,11-25H2,1H3,(H2,30,31,32)/b10-9-
InChIKey
LUOJYKBTQKAEPP-KTKRTIGZSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

520.3529 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.36018 228.6
[M+Na]+ 543.34212 230.2
[M-H]- 519.34562 218.8
[M+NH4]+ 538.38672 228.0
[M+K]+ 559.31606 227.9
[M+H-H2O]+ 503.35016 218.3
[M+HCOO]- 565.35110 234.7
[M+CH3COO]- 579.36675 240.7
[M+Na-2H]- 541.32757 211.2
[M]+ 520.35235 224.8
[M]- 520.35345 224.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe