CID 15841981

(9z)-12-hydroxy-13,16-epoxy-9-octadecenoic acid

Structural Information

Molecular Formula
C18H32O4
SMILES
CCC1CCC(O1)C(C/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H32O4/c1-2-15-13-14-17(22-15)16(19)11-9-7-5-3-4-6-8-10-12-18(20)21/h7,9,15-17,19H,2-6,8,10-14H2,1H3,(H,20,21)/b9-7-
InChIKey
BLZRUYMMXDVEJR-CLFYSBASSA-N
Compound name
(Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.23007 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 183.3
[M+Na]+ 335.21929 184.7
[M-H]- 311.22279 182.6
[M+NH4]+ 330.26389 196.7
[M+K]+ 351.19323 182.0
[M+H-H2O]+ 295.22733 176.9
[M+HCOO]- 357.22827 197.8
[M+CH3COO]- 371.24392 202.7
[M+Na-2H]- 333.20474 179.4
[M]+ 312.22952 184.4
[M]- 312.23062 184.4
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.