CID 377826

96017-24-2

Structural Information

Molecular Formula

C₅H₇ClN₄O

SMILES

CN(C1=C(C(=O)NN=C1)Cl)N

InChI

InChI=1S/C5H7ClN4O/c1-10(7)3-2-8-9-5(11)4(3)6/h2H,7H2,1H3,(H,9,11)

InChIKey

PWXHTVDRBCSDOJ-UHFFFAOYSA-N

Compound name

4-[amino(methyl)amino]-5-chloro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 174.03084 Da
Monoisotopic Mass: -0.3
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]+	175.03812	132.0
[M+Na]+	197.02006	142.0
[M-H]-	173.02356	133.2
[M+NH4]+	192.06466	149.9
[M+K]+	212.99400	138.7
[M+H-H2O]+	157.02810	125.6
[M+HCOO]-	219.02904	151.4
[M+CH3COO]-	233.04469	182.0
[M+Na-2H]-	195.00551	138.8
[M]+	174.03029	131.7
[M]-	174.03139	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe