CID 101594

123-84-2

Structural Information

Molecular Formula

C₅H₁₄N₂O

SMILES

CC(CNCCN)O

InChI

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

InChIKey

CWKVFRNCODQPDB-UHFFFAOYSA-N

Compound name

1-(2-aminoethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 6117
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]+	119.11789	126.7
[M+Na]+	141.09983	131.9
[M-H]-	117.10333	125.1
[M+NH4]+	136.14443	147.6
[M+K]+	157.07377	131.5
[M+H-H2O]+	101.10787	121.6
[M+HCOO]-	163.10881	149.9
[M+CH3COO]-	177.12446	173.4
[M+Na-2H]-	139.08528	131.7
[M]+	118.11006	123.7
[M]-	118.11116	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe