CID 15289585

153539-26-5

Structural Information

Molecular Formula

SMILES

C1=CN=CC=C1NC(=O)NN

InChI

InChI=1S/C6H8N4O/c7-10-6(11)9-5-1-3-8-4-2-5/h1-4H,7H2,(H2,8,9,10,11)

InChIKey

MJTBMALRTPNOQB-UHFFFAOYSA-N

Compound name

1-amino-3-pyridin-4-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 152.06981 Da
Monoisotopic Mass: -0.4
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]+	153.07709	129.7
[M+Na]+	175.05903	139.0
[M+NH4]+	170.10363	136.8
[M+K]+	191.03297	134.6
[M-H]-	151.06253	131.8
[M+Na-2H]-	173.04448	136.3
[M]+	152.06926	131.1
[M]-	152.07036	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe