CID 45791305

2,2-dimethyl-1-(4-methylphenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1=CC=C(C=C1)C2(CC2(C)C)C(=O)O
InChI
InChI=1S/C13H16O2/c1-9-4-6-10(7-5-9)13(11(14)15)8-12(13,2)3/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
SSLIEVKLCVTOOJ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 142.7
[M+Na]+ 227.10426 153.2
[M-H]- 203.10776 150.0
[M+NH4]+ 222.14886 160.6
[M+K]+ 243.07820 151.4
[M+H-H2O]+ 187.11230 138.8
[M+HCOO]- 249.11324 164.0
[M+CH3COO]- 263.12889 188.0
[M+Na-2H]- 225.08971 148.8
[M]+ 204.11449 146.8
[M]- 204.11559 146.8
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