CID 61487

10138-74-6

Structural Information

Molecular Formula

C₅H₁₄N₂O

SMILES

CC(CN)NCCO

InChI

InChI=1S/C5H14N2O/c1-5(4-6)7-2-3-8/h5,7-8H,2-4,6H2,1H3

InChIKey

QLSQYTKEUVPIJA-UHFFFAOYSA-N

Compound name

2-(1-aminopropan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1032
Patents: 118.11061 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]+	119.117886	126.7
[M+Na]+	141.099828	131.9
[M-H]-	117.103334	125.1
[M+NH4]+	136.144433	147.6
[M+K]+	157.073768	131.5
[M+H-H2O]+	101.107870	121.6
[M+HCOO]-	163.108811	149.9
[M+CH3COO]-	177.124461	173.4
[M+Na-2H]-	139.085276	131.7
[M]+	118.11006142	123.7
[M]-	118.11115858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe