CID 66875468

14250-51-2

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CCC2=C(C1)C=NNC2=O

InChI

InChI=1S/C8H10N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h5H,1-4H2,(H,10,11)

InChIKey

LHVFGQLBRNFHHS-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydro-2H-phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 76
Patents: 150.07932 Da
Monoisotopic Mass: 0.7
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]+	151.086596	128.9
[M+Na]+	173.068538	137.0
[M-H]-	149.072044	129.1
[M+NH4]+	168.113143	147.7
[M+K]+	189.042478	133.6
[M+H-H2O]+	133.076580	121.9
[M+HCOO]-	195.077521	147.1
[M+CH3COO]-	209.093171	141.4
[M+Na-2H]-	171.053986	137.7
[M]+	150.07877142	124.6
[M]-	150.07986858	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe