CID 74541

1-(p-methylbenzyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=CC=C(C=C1)CC2(CC2)C(=O)O
InChI
InChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H,13,14)
InChIKey
HJWBQCOOUNIZPR-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.8
[M+Na]+ 213.088598 149.0
[M-H]- 189.092104 146.5
[M+NH4]+ 208.133203 155.9
[M+K]+ 229.062538 146.5
[M+H-H2O]+ 173.096640 134.5
[M+HCOO]- 235.097581 161.8
[M+CH3COO]- 249.113231 184.2
[M+Na-2H]- 211.074046 145.8
[M]+ 190.09883142 142.5
[M]- 190.09992858 142.5
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.