CID 22640986

3-hydroxycyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C1C(CC1O)C(=O)O

InChI

InChI=1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)

InChIKey

ZSHGVMYLGGANKU-UHFFFAOYSA-N

Compound name

3-hydroxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 677
Patents: 116.04734 Da
Monoisotopic Mass: -0.4
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]+	117.05462	120.1
[M+Na]+	139.03656	125.8
[M-H]-	115.04006	121.2
[M+NH4]+	134.08116	134.7
[M+K]+	155.01050	128.3
[M+H-H2O]+	99.044600	110.8
[M+HCOO]-	161.04554	139.3
[M+CH3COO]-	175.06119	167.8
[M+Na-2H]-	137.02201	124.4
[M]+	116.04679	126.2
[M]-	116.04789	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe