CID 45791023

884091-56-9

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

CC1(CC1(C2=CC=C(C=C2)OC)C(=O)O)C

InChI

InChI=1S/C13H16O3/c1-12(2)8-13(12,11(14)15)9-4-6-10(16-3)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)

InChIKey

GIRPVUVYVGNIEF-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 220.10994 Da
Monoisotopic Mass: 2.5
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]+	221.117216	146.8
[M+Na]+	243.099158	157.2
[M-H]-	219.102664	154.0
[M+NH4]+	238.143763	163.9
[M+K]+	259.073098	155.8
[M+H-H2O]+	203.107200	142.8
[M+HCOO]-	265.108141	168.2
[M+CH3COO]-	279.123791	189.9
[M+Na-2H]-	241.084606	152.8
[M]+	220.10939142	152.3
[M]-	220.11048858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe