CID 2774689

4-chloro-2-methyl-5-(1-methylhydrazin-1-yl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C6H9ClN4O
SMILES
CN1C(=O)C(=C(C=N1)N(C)N)Cl
InChI
InChI=1S/C6H9ClN4O/c1-10(8)4-3-9-11(2)6(12)5(4)7/h3H,8H2,1-2H3
InChIKey
UKPMAZBURJFXCB-UHFFFAOYSA-N
Compound name
5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

188.0465 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05378 136.3
[M+Na]+ 211.03572 147.2
[M-H]- 187.03922 139.1
[M+NH4]+ 206.08032 154.7
[M+K]+ 227.00966 144.6
[M+H-H2O]+ 171.04376 129.7
[M+HCOO]- 233.04470 156.9
[M+CH3COO]- 247.06035 188.8
[M+Na-2H]- 209.02117 142.3
[M]+ 188.04595 138.6
[M]- 188.04705 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe