CID 16770133

926209-30-5

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

CC1=C(C=C(C=C1)C2(CC2)C(=O)O)OC

InChI

InChI=1S/C12H14O3/c1-8-3-4-9(7-10(8)15-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)

InChIKey

WHSRBWOFSUGSHR-UHFFFAOYSA-N

Compound name

1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.0943 Da
Monoisotopic Mass: 2.1
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]+	207.101576	142.6
[M+Na]+	229.083518	152.7
[M-H]-	205.087024	149.7
[M+NH4]+	224.128123	158.4
[M+K]+	245.057458	150.5
[M+H-H2O]+	189.091560	137.6
[M+HCOO]-	251.092501	164.7
[M+CH3COO]-	265.108151	187.3
[M+Na-2H]-	227.068966	148.0
[M]+	206.09375142	147.2
[M]-	206.09484858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe