CID 55299793

2-cyclobutyl-2-hydroxyacetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC(C1)C(C(=O)O)O

InChI

InChI=1S/C6H10O3/c7-5(6(8)9)4-2-1-3-4/h4-5,7H,1-3H2,(H,8,9)

InChIKey

WDUASXFZWNGNDP-UHFFFAOYSA-N

Compound name

2-cyclobutyl-2-hydroxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 130.06299 Da
Monoisotopic Mass: 0.5
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]+	131.07027	128.5
[M+Na]+	153.05221	132.5
[M+NH4]+	148.09681	131.5
[M+K]+	169.02615	131.4
[M-H]-	129.05571	124.7
[M+Na-2H]-	151.03766	128.7
[M]+	130.06244	126.4
[M]-	130.06354	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe