CID 85575

16728-01-1

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

COC1=CC=C(C=C1)C2(CC2)C(=O)O

InChI

InChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

WCPFQQHADRJANG-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 735
Patents: 192.07864 Da
Monoisotopic Mass: 1.7
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]+	193.08592	144.3
[M+Na]+	215.06786	157.9
[M+NH4]+	210.11246	154.3
[M+K]+	231.04180	152.0
[M-H]-	191.07136	153.7
[M+Na-2H]-	213.05331	155.0
[M]+	192.07809	150.2
[M]-	192.07919	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe