CID 10725642

212622-32-7

Structural Information

Molecular Formula
C5H6ClN3O
SMILES
CNC1=C(C(=O)NN=C1)Cl
InChI
InChI=1S/C5H6ClN3O/c1-7-3-2-8-9-5(10)4(3)6/h2H,1H3,(H2,7,9,10)
InChIKey
LRJLZXFFOZLZHM-UHFFFAOYSA-N
Compound name
5-chloro-4-(methylamino)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

159.01994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02722 127.4
[M+Na]+ 182.00916 138.1
[M-H]- 158.01266 127.6
[M+NH4]+ 177.05376 145.9
[M+K]+ 197.98310 133.9
[M+H-H2O]+ 142.01720 121.5
[M+HCOO]- 204.01814 145.9
[M+CH3COO]- 218.03379 174.2
[M+Na-2H]- 179.99461 135.6
[M]+ 159.01939 127.5
[M]- 159.02049 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe