CID 12602733

54445-64-6

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1C[C@H]([C@H]1CO)CO

InChI

InChI=1S/C6H12O2/c7-3-5-1-2-6(5)4-8/h5-8H,1-4H2/t5-,6+

InChIKey

GAADRFVRUBFCML-OLQVQODUSA-N

Compound name

[(1R,2S)-2-(hydroxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 116.08373 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]+	117.09101	122.8
[M+Na]+	139.07295	128.2
[M+NH4]+	134.11755	126.9
[M+K]+	155.04689	125.6
[M-H]-	115.07645	120.2
[M+Na-2H]-	137.05840	124.3
[M]+	116.08318	121.4
[M]-	116.08428	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe