CID 12603984

74519-74-7

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1=CC=C(C=C1)C(C2CC2)C(=O)O

InChI

InChI=1S/C12H14O2/c1-8-2-4-9(5-3-8)11(12(13)14)10-6-7-10/h2-5,10-11H,6-7H2,1H3,(H,13,14)

InChIKey

WBFXOVCUTNVXQE-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-(4-methylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 190.09938 Da
Monoisotopic Mass: 2.9
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]+	191.10666	138.0
[M+Na]+	213.08860	146.3
[M-H]-	189.09210	144.4
[M+NH4]+	208.13320	152.2
[M+K]+	229.06254	143.3
[M+H-H2O]+	173.09664	131.8
[M+HCOO]-	235.09758	159.5
[M+CH3COO]-	249.11323	185.5
[M+Na-2H]-	211.07405	142.0
[M]+	190.09883	139.7
[M]-	190.09993	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe