CID 594330

17254-80-7

Structural Information

Molecular Formula

C₅H₆ClN₃O

SMILES

CN1C(=O)C(=C(C=N1)N)Cl

InChI

InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3

InChIKey

XNSGCNYTNLWRKM-UHFFFAOYSA-N

Compound name

5-amino-4-chloro-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 9
Patents: 159.01994 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]+	160.02722	127.3
[M+Na]+	182.00916	139.4
[M-H]-	158.01266	128.8
[M+NH4]+	177.05376	146.6
[M+K]+	197.98310	135.7
[M+H-H2O]+	142.01720	121.5
[M+HCOO]-	204.01814	146.6
[M+CH3COO]-	218.03379	177.3
[M+Na-2H]-	179.99461	134.2
[M]+	159.01939	128.7
[M]-	159.02049	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe