CID 20545753

2-(methylamino)propane-1,3-diol

Structural Information

Molecular Formula

C₄H₁₁NO₂

SMILES

CNC(CO)CO

InChI

InChI=1S/C4H11NO2/c1-5-4(2-6)3-7/h4-7H,2-3H2,1H3

InChIKey

YMFOWIJFFPALOW-UHFFFAOYSA-N

Compound name

2-(methylamino)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 105.07898 Da
Monoisotopic Mass: -1.5
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	128.5
[M+NH4]+	123.11280	127.4
[M+K]+	144.04214	124.9
[M-H]-	104.07170	118.9
[M+Na-2H]-	126.05365	123.1
[M]+	105.07843	120.6
[M]-	105.07953	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe