CID 68594743

2-cyclopentene-1-pentadecenoic acid

Structural Information

Molecular Formula

C₂₀H₃₄O₂

SMILES

C1CC(C=C1)CCCCCC=CCCCCCCCC(=O)O

InChI

InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1,3,13,16,19H,2,4-12,14-15,17-18H2,(H,21,22)

InChIKey

GFPRKNCSMMGSNS-UHFFFAOYSA-N

Compound name

15-cyclopent-2-en-1-ylpentadec-9-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 306.2559 Da
Monoisotopic Mass: 7.1
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]+	307.263176	184.4
[M+Na]+	329.245118	185.8
[M-H]-	305.248624	184.0
[M+NH4]+	324.289723	200.0
[M+K]+	345.219058	180.8
[M+H-H2O]+	289.253160	177.1
[M+HCOO]-	351.254101	202.7
[M+CH3COO]-	365.269751	204.7
[M+Na-2H]-	327.230566	181.5
[M]+	306.25535142	186.3
[M]-	306.25644858	186.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe