CID 18614396

400770-57-2

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CC1(CCC(=C)C1)C(=O)O

InChI

InChI=1S/C8H12O2/c1-6-3-4-8(2,5-6)7(9)10/h1,3-5H2,2H3,(H,9,10)

InChIKey

RABGNNHDAZOUDC-UHFFFAOYSA-N

Compound name

1-methyl-3-methylidenecyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 140.08372 Da
Monoisotopic Mass: 1.2
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]+	141.09100	131.1
[M+Na]+	163.07294	140.1
[M+NH4]+	158.11754	140.3
[M+K]+	179.04688	135.3
[M-H]-	139.07644	131.0
[M+Na-2H]-	161.05839	135.5
[M]+	140.08317	132.1
[M]-	140.08427	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe