CID 91169202

At14586

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C=C1CCC(CC1)CC(=O)O

InChI

InChI=1S/C9H14O2/c1-7-2-4-8(5-3-7)6-9(10)11/h8H,1-6H2,(H,10,11)

InChIKey

XLNMRLVIUNXFEK-UHFFFAOYSA-N

Compound name

2-(4-methylidenecyclohexyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.09938 Da
Monoisotopic Mass: 1.8
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]+	155.10666	133.5
[M+Na]+	177.08860	138.6
[M-H]-	153.09210	135.1
[M+NH4]+	172.13320	153.7
[M+K]+	193.06254	136.8
[M+H-H2O]+	137.09664	128.5
[M+HCOO]-	199.09758	152.0
[M+CH3COO]-	213.11323	174.0
[M+Na-2H]-	175.07405	136.3
[M]+	154.09883	128.4
[M]-	154.09993	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe