CID 1870972

2-[(3-aminopyridin-4-yl)amino]ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1=CN=CC(=C1NCCO)N

InChI

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

InChIKey

MKFUJNJNKHEQTE-UHFFFAOYSA-N

Compound name

2-[(3-amino-4-pyridinyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 153.09021 Da
Monoisotopic Mass: -0.5
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]+	154.097486	130.5
[M+Na]+	176.079428	137.6
[M-H]-	152.082934	131.2
[M+NH4]+	171.124033	148.9
[M+K]+	192.053368	135.1
[M+H-H2O]+	136.087470	123.8
[M+HCOO]-	198.088411	154.6
[M+CH3COO]-	212.104061	177.7
[M+Na-2H]-	174.064876	138.3
[M]+	153.08966142	127.6
[M]-	153.09075858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe