CID 20207205

2095410-07-2

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CN1CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)9(12)10-11/h2-5H,6H2,1H3,(H,10,12)

InChIKey

CYVASZIHUASLTL-UHFFFAOYSA-N

Compound name

3-methyl-2,4-dihydrophthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 162.07932 Da
Monoisotopic Mass: 1.0
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]+	163.08660	133.2
[M+Na]+	185.06854	141.9
[M-H]-	161.07204	133.6
[M+NH4]+	180.11314	151.9
[M+K]+	201.04248	138.2
[M+H-H2O]+	145.07658	126.3
[M+HCOO]-	207.07752	151.1
[M+CH3COO]-	221.09317	145.7
[M+Na-2H]-	183.05399	140.8
[M]+	162.07877	129.7
[M]-	162.07987	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe