CID 65439506

1612885-87-6

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

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

InChI

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

InChIKey

MBOADLJJMFPKKD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 192.07864 Da
Monoisotopic Mass: 1.1
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]+	193.085916	140.8
[M+Na]+	215.067858	146.5
[M-H]-	191.071364	145.0
[M+NH4]+	210.112463	154.1
[M+K]+	231.041798	147.0
[M+H-H2O]+	175.075900	130.8
[M+HCOO]-	237.076841	159.7
[M+CH3COO]-	251.092491	180.6
[M+Na-2H]-	213.053306	145.6
[M]+	192.07809142	147.1
[M]-	192.07918858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe