CID 129920010

1314649-40-5

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

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

InChI

InChI=1S/C12H14O2/c1-8-4-3-5-9(2)10(8)12(6-7-12)11(13)14/h3-5H,6-7H2,1-2H3,(H,13,14)

InChIKey

XXDNMGAWWCUERA-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.09938 Da
Monoisotopic Mass: 2.5
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]+	191.106656	138.7
[M+Na]+	213.088598	148.8
[M-H]-	189.092104	145.8
[M+NH4]+	208.133203	155.2
[M+K]+	229.062538	146.3
[M+H-H2O]+	173.096640	133.8
[M+HCOO]-	235.097581	160.6
[M+CH3COO]-	249.113231	185.3
[M+Na-2H]-	211.074046	144.1
[M]+	190.09883142	141.8
[M]-	190.09992858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.