CID 12361178

63536-32-3

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC(C)N1C(=O)C2=CC=CC=C2C=N1

InChI

InChI=1S/C11H12N2O/c1-8(2)13-11(14)10-6-4-3-5-9(10)7-12-13/h3-8H,1-2H3

InChIKey

FWWCAOBJRREJQI-UHFFFAOYSA-N

Compound name

2-propan-2-ylphthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 188.09496 Da
Monoisotopic Mass: 1.4
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]+	189.10224	139.2
[M+Na]+	211.08418	154.4
[M+NH4]+	206.12878	147.9
[M+K]+	227.05812	147.4
[M-H]-	187.08768	141.3
[M+Na-2H]-	209.06963	146.8
[M]+	188.09441	142.0
[M]-	188.09551	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe