CID 18425516

3-amino-3-methylbutane-1,2-diol hydrochloride

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CC(C)(C(CO)O)N

InChI

InChI=1S/C5H13NO2/c1-5(2,6)4(8)3-7/h4,7-8H,3,6H2,1-2H3

InChIKey

CITXRMPGAABIAC-UHFFFAOYSA-N

Compound name

3-amino-3-methylbutane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 119.09463 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]+	120.10191	124.7
[M+Na]+	142.08385	132.2
[M+NH4]+	137.12845	131.4
[M+K]+	158.05779	129.9
[M-H]-	118.08735	122.5
[M+Na-2H]-	140.06930	126.7
[M]+	119.09408	124.7
[M]-	119.09518	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe