CID 161928

36725-28-7

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N

InChI

InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)

InChIKey

GDMRFHZLKNYRRO-UHFFFAOYSA-N

Compound name

3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1388
References: 361
Patents: 203.10587 Da
Monoisotopic Mass: 0.8
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]+	204.113146	146.0
[M+Na]+	226.095088	153.8
[M-H]-	202.098594	148.4
[M+NH4]+	221.139693	161.3
[M+K]+	242.069028	149.2
[M+H-H2O]+	186.103130	137.9
[M+HCOO]-	248.104071	165.2
[M+CH3COO]-	262.119721	185.4
[M+Na-2H]-	224.080536	150.4
[M]+	203.10532142	140.6
[M]-	203.10641858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe