CID 168007640

Chebi:194411

Structural Information

Molecular Formula
C20H34O4
SMILES
CC/C=C\CC1C(O1)CC(/C=C/CCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H34O4/c1-2-3-10-14-18-19(24-18)16-17(21)13-11-8-6-4-5-7-9-12-15-20(22)23/h3,10-11,13,17-19,21H,2,4-9,12,14-16H2,1H3,(H,22,23)/b10-3-,13-11+
InChIKey
CDADNDVRWOHLRS-AQWGXPIYSA-N
Compound name
(E)-12-hydroxy-13-[3-[(Z)-pent-2-enyl]oxiran-2-yl]tridec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2457 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 184.8
[M+Na]+ 361.23492 188.9
[M-H]- 337.23842 185.5
[M+NH4]+ 356.27952 191.5
[M+K]+ 377.20886 183.7
[M+H-H2O]+ 321.24296 177.5
[M+HCOO]- 383.24390 200.1
[M+CH3COO]- 397.25955 211.4
[M+Na-2H]- 359.22037 182.7
[M]+ 338.24515 192.1
[M]- 338.24625 192.1
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.