CID 120991

1080-85-9

Structural Information

Molecular Formula
C9H12ClN3O2
SMILES
CN1C(=O)C(=C(C=N1)N2CCOCC2)Cl
InChI
InChI=1S/C9H12ClN3O2/c1-12-9(14)8(10)7(6-11-12)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKey
MPFFULBWRPBYJB-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5-morpholin-4-ylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.0618 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06908 148.2
[M+Na]+ 252.05102 157.6
[M-H]- 228.05452 151.1
[M+NH4]+ 247.09562 161.6
[M+K]+ 268.02496 154.7
[M+H-H2O]+ 212.05906 139.3
[M+HCOO]- 274.06000 160.6
[M+CH3COO]- 288.07565 186.9
[M+Na-2H]- 250.03647 153.6
[M]+ 229.06125 148.4
[M]- 229.06235 148.4
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

No patent data available for this compound.