CID 45791305

884091-24-1

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

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]+	205.12232	148.1
[M+Na]+	227.10426	162.3
[M+NH4]+	222.14886	159.7
[M+K]+	243.07820	154.1
[M-H]-	203.10776	158.1
[M+Na-2H]-	225.08971	160.1
[M]+	204.11449	154.5
[M]-	204.11559	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe