CID 57596060

1-(hydroxymethyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c7-4-6(5(8)9)2-1-3-6/h7H,1-4H2,(H,8,9)

InChIKey

LVJOUTSTBBXGQS-UHFFFAOYSA-N

Compound name

1-(hydroxymethyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 130.06299 Da
Monoisotopic Mass: -0.1
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]+	131.07027	128.1
[M+Na]+	153.05221	132.6
[M+NH4]+	148.09681	132.7
[M+K]+	169.02615	129.1
[M-H]-	129.05571	124.5
[M+Na-2H]-	151.03766	130.2
[M]+	130.06244	126.3
[M]-	130.06354	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe