CID 55302349

3-hydroxy-3-methylcyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(CC(C1)C(=O)O)O

InChI

InChI=1S/C6H10O3/c1-6(9)2-4(3-6)5(7)8/h4,9H,2-3H2,1H3,(H,7,8)

InChIKey

GJFHHQJYZGSYSR-UHFFFAOYSA-N

Compound name

3-hydroxy-3-methylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 130.06299 Da
Monoisotopic Mass: -0.2
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	127.8
[M+Na]+	153.05221	132.7
[M+NH4]+	148.09681	132.4
[M+K]+	169.02615	129.4
[M-H]-	129.05571	124.3
[M+Na-2H]-	151.03766	129.8
[M]+	130.06244	126.1
[M]-	130.06354	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe