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: 29
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	138.9
[M+Na]+	211.08418	148.9
[M-H]-	187.08768	141.2
[M+NH4]+	206.12878	157.4
[M+K]+	227.05812	145.7
[M+H-H2O]+	171.09222	131.5
[M+HCOO]-	233.09316	159.5
[M+CH3COO]-	247.10881	184.5
[M+Na-2H]-	209.06963	146.8
[M]+	188.09441	140.2
[M]-	188.09551	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe