CID 445639

Oleic acid

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

InChIKey

ZQPPMHVWECSIRJ-KTKRTIGZSA-N

Compound name

(Z)-octadec-9-enoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 10608
References: 676569
Patents: 282.2559 Da
Monoisotopic Mass: 6.5
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]+	283.26318	176.5
[M+Na]+	305.24512	183.9
[M+NH4]+	300.28972	181.7
[M+K]+	321.21906	176.0
[M-H]-	281.24862	174.3
[M+Na-2H]-	303.23057	176.3
[M]+	282.25535	176.5
[M]-	282.25645	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe