CID 13842461

1-amino-3-(methylamino)propan-2-ol

Structural Information

Molecular Formula

C₄H₁₂N₂O

SMILES

CNCC(CN)O

InChI

InChI=1S/C4H12N2O/c1-6-3-4(7)2-5/h4,6-7H,2-3,5H2,1H3

InChIKey

KLYMOBVXBBPTGW-UHFFFAOYSA-N

Compound name

1-amino-3-(methylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 266
Patents: 104.09496 Da
Monoisotopic Mass: -1.8
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]+	105.10224	120.7
[M+Na]+	127.08418	128.4
[M+NH4]+	122.12878	128.1
[M+K]+	143.05812	124.6
[M-H]-	103.08768	120.4
[M+Na-2H]-	125.06963	123.8
[M]+	104.09441	121.2
[M]-	104.09551	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe