CID 177655

Schembl2318374

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

CCC=CCCCCCCCCCCCCCC(=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/h3-4H,2,5-17H2,1H3,(H,19,20)

InChIKey

KSIKGJKZYDOVFA-UHFFFAOYSA-N

Compound name

octadec-15-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 164
Patents: 282.2559 Da
Monoisotopic Mass: 7.2
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]+	283.263176	177.9
[M+Na]+	305.245118	180.1
[M-H]-	281.248624	174.6
[M+NH4]+	300.289723	193.2
[M+K]+	321.219058	176.0
[M+H-H2O]+	265.253160	171.4
[M+HCOO]-	327.254101	196.1
[M+CH3COO]-	341.269751	203.0
[M+Na-2H]-	303.230566	176.8
[M]+	282.25535142	182.6
[M]-	282.25644858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe