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: 2
Patents: 229.0618 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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe