CID 15718762

118705-01-4

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1=CC(=C(N=C1)NCCO)N

InChI

InChI=1S/C7H11N3O/c8-6-2-1-3-9-7(6)10-4-5-11/h1-3,11H,4-5,8H2,(H,9,10)

InChIKey

WCZSOFQPRHJEAM-UHFFFAOYSA-N

Compound name

2-[(3-aminopyridin-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 153.09021 Da
Monoisotopic Mass: -0.2
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]+	154.09749	130.5
[M+Na]+	176.07943	137.6
[M-H]-	152.08293	131.2
[M+NH4]+	171.12403	148.9
[M+K]+	192.05337	135.1
[M+H-H2O]+	136.08747	123.8
[M+HCOO]-	198.08841	154.6
[M+CH3COO]-	212.10406	177.7
[M+Na-2H]-	174.06488	138.3
[M]+	153.08966	127.6
[M]-	153.09076	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe