CID 21097237

865798-44-3

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C1CC1(C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C11H12O3/c12-10(13)11(6-7-11)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChIKey

FTUWSHSEDSWQDP-UHFFFAOYSA-N

Compound name

1-phenylmethoxycyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 192.07864 Da
Monoisotopic Mass: 1.5
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]+	193.08592	140.3
[M+Na]+	215.06786	149.1
[M-H]-	191.07136	146.8
[M+NH4]+	210.11246	156.0
[M+K]+	231.04180	147.2
[M+H-H2O]+	175.07590	134.8
[M+HCOO]-	237.07684	162.8
[M+CH3COO]-	251.09249	182.2
[M+Na-2H]-	213.05331	147.4
[M]+	192.07809	143.7
[M]-	192.07919	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe