CID 124510

1-amino-3-methoxypropan-2-ol

Structural Information

Molecular Formula

C₄H₁₁NO₂

SMILES

COCC(CN)O

InChI

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

InChIKey

IDSWHVZEQHESIJ-UHFFFAOYSA-N

Compound name

1-amino-3-methoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 337
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	119.9
[M+Na]+	128.06820	128.4
[M+NH4]+	123.11280	127.3
[M+K]+	144.04214	124.8
[M-H]-	104.07170	118.9
[M+Na-2H]-	126.05365	122.9
[M]+	105.07843	120.4
[M]-	105.07953	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe