CID 105445781

92016-91-6

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C1C(C1OCC2=CC=CC=C2)C(=O)O

InChI

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

InChIKey

RIAXPUGLCKTZFG-UHFFFAOYSA-N

Compound name

2-phenylmethoxycyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 192.07864 Da
Monoisotopic Mass: 1.3
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	138.2
[M+Na]+	215.06786	147.1
[M-H]-	191.07136	144.7
[M+NH4]+	210.11246	152.3
[M+K]+	231.04180	144.2
[M+H-H2O]+	175.07590	131.9
[M+HCOO]-	237.07684	161.1
[M+CH3COO]-	251.09249	183.8
[M+Na-2H]-	213.05331	143.7
[M]+	192.07809	141.6
[M]-	192.07919	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe