CID 10308378

10-oxo-(11e)-octadecenoate

Structural Information

Molecular Formula

C₁₈H₃₂O₃

SMILES

CCCCCC/C=C/C(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h11,14H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+

InChIKey

SBQFPIFSENQOQP-SDNWHVSQSA-N

Compound name

(E)-10-oxooctadec-11-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 296.23514 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.242416	179.6
[M+Na]+	319.224358	181.9
[M-H]-	295.227864	176.4
[M+NH4]+	314.268963	194.2
[M+K]+	335.198298	178.1
[M+H-H2O]+	279.232400	173.2
[M+HCOO]-	341.233341	197.3
[M+CH3COO]-	355.248991	204.8
[M+Na-2H]-	317.209806	177.4
[M]+	296.23459142	184.4
[M]-	296.23568858	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe