CID 71464334

23761-26-4

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C1C(CC1(C2=CC=CC=C2)O)C(=O)O

InChI

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

InChIKey

PAVXBGIOIYHQMN-UHFFFAOYSA-N

Compound name

3-hydroxy-3-phenylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 192.07864 Da
Monoisotopic Mass: 0.9
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	140.8
[M+Na]+	215.06786	146.5
[M-H]-	191.07136	145.0
[M+NH4]+	210.11246	154.1
[M+K]+	231.04180	147.0
[M+H-H2O]+	175.07590	130.8
[M+HCOO]-	237.07684	159.7
[M+CH3COO]-	251.09249	180.6
[M+Na-2H]-	213.05331	145.6
[M]+	192.07809	147.1
[M]-	192.07919	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe