CID 14325613

2-aminobutane-1,4-diol hydrochloride

Structural Information

Molecular Formula

C₄H₁₁NO₂

SMILES

C(CO)C(CO)N

InChI

InChI=1S/C4H11NO2/c5-4(3-7)1-2-6/h4,6-7H,1-3,5H2

InChIKey

PYBVXNWDSBYQSA-UHFFFAOYSA-N

Compound name

2-aminobutane-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 256
Patents: 105.07898 Da
Monoisotopic Mass: -1.7
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]+	106.08626	120.3
[M+Na]+	128.06820	128.2
[M+NH4]+	123.11280	127.3
[M+K]+	144.04214	124.9
[M-H]-	104.07170	118.7
[M+Na-2H]-	126.05365	122.6
[M]+	105.07843	120.4
[M]-	105.07953	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe