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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.7
[M+Na]+ 213.08860 148.8
[M-H]- 189.09210 145.8
[M+NH4]+ 208.13320 155.2
[M+K]+ 229.06254 146.3
[M+H-H2O]+ 173.09664 133.8
[M+HCOO]- 235.09758 160.6
[M+CH3COO]- 249.11323 185.3
[M+Na-2H]- 211.07405 144.1
[M]+ 190.09883 141.8
[M]- 190.09993 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.