CID 53480997

Delta 15 cis mononervonin

Structural Information

Molecular Formula
C27H52O4
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h9-10,26,28-29H,2-8,11-25H2,1H3/b10-9-/t26-/m0/s1
InChIKey
NVQGQHXFWUBOAU-IMHHWWNFSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

440.38657 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.393846 223.7
[M+Na]+ 463.375788 227.3
[M-H]- 439.379294 208.9
[M+NH4]+ 458.420393 219.7
[M+K]+ 479.349728 215.7
[M+H-H2O]+ 423.383830 215.4
[M+HCOO]- 485.384771 228.1
[M+CH3COO]- 499.400421 230.8
[M+Na-2H]- 461.361236 216.3
[M]+ 440.38602142 220.9
[M]- 440.38711858 220.9
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

No patent data available for this compound.