CID 53425345

3-(hydroxymethyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1C(CC1C(=O)O)CO

InChI

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

InChIKey

IJDSDHSDNKDDER-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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	124.8
[M+Na]+	153.05221	130.1
[M-H]-	129.05571	125.8
[M+NH4]+	148.09681	138.9
[M+K]+	169.02615	132.3
[M+H-H2O]+	113.06025	115.3
[M+HCOO]-	175.06119	143.7
[M+CH3COO]-	189.07684	170.7
[M+Na-2H]-	151.03766	128.5
[M]+	130.06244	131.3
[M]-	130.06354	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe