CID 53901586

3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1C(CC1(CN)CO)O

InChI

InChI=1S/C6H13NO2/c7-3-6(4-8)1-5(9)2-6/h5,8-9H,1-4,7H2

InChIKey

HXMHELDGDLJUBZ-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 131.09464 Da
Monoisotopic Mass: -1.4
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]+	132.10192	129.6
[M+Na]+	154.08386	134.8
[M-H]-	130.08736	130.3
[M+NH4]+	149.12846	145.1
[M+K]+	170.05780	136.4
[M+H-H2O]+	114.09190	120.7
[M+HCOO]-	176.09284	149.3
[M+CH3COO]-	190.10849	172.5
[M+Na-2H]-	152.06931	134.6
[M]+	131.09409	134.5
[M]-	131.09519	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe