CID 98639

83846-66-6

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1=CC=C(C=C1)C2(CC2)C(=O)O

InChI

InChI=1S/C11H12O2/c1-8-2-4-9(5-3-8)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

AYUGAOYMYXSOKU-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 295
Patents: 176.08372 Da
Monoisotopic Mass: 2.1
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]+	177.09100	135.5
[M+Na]+	199.07294	145.2
[M-H]-	175.07644	142.4
[M+NH4]+	194.11754	152.2
[M+K]+	215.04688	142.9
[M+H-H2O]+	159.08098	130.5
[M+HCOO]-	221.08192	157.8
[M+CH3COO]-	235.09757	181.4
[M+Na-2H]-	197.05839	142.0
[M]+	176.08317	137.9
[M]-	176.08427	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe