CID 16228540

1-(3,5-dimethylphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=CC(=CC(=C1)C2(CC2)C(=O)O)C
InChI
InChI=1S/C12H14O2/c1-8-5-9(2)7-10(6-8)12(3-4-12)11(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKey
AEZQFJBQJQUQRA-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe