CID 4498243

4415-73-0

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1CC(C1)(CO)CO

InChI

InChI=1S/C6H12O2/c7-4-6(5-8)2-1-3-6/h7-8H,1-5H2

InChIKey

AEBIBBWVNCPTNL-UHFFFAOYSA-N

Compound name

[1-(hydroxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 575
Patents: 116.08373 Da
Monoisotopic Mass: 0.0
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]+	117.09101	123.6
[M+Na]+	139.07295	128.8
[M+NH4]+	134.11755	129.1
[M+K]+	155.04689	124.3
[M-H]-	115.07645	121.0
[M+Na-2H]-	137.05840	126.8
[M]+	116.08318	122.3
[M]-	116.08428	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe