CID 14045176

3-(hydroxymethyl)cyclobutanol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1C(CC1O)CO

InChI

InChI=1S/C5H10O2/c6-3-4-1-5(7)2-4/h4-7H,1-3H2

InChIKey

PJMLHATZVMHVHC-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 102.06808 Da
Monoisotopic Mass: -0.3
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]+	103.07536	118.3
[M+Na]+	125.05730	124.0
[M+NH4]+	120.10190	122.6
[M+K]+	141.03124	121.5
[M-H]-	101.06080	115.8
[M+Na-2H]-	123.04275	120.1
[M]+	102.06753	117.0
[M]-	102.06863	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe