CID 21103

4-methylphthalazin-1(2h)-one

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=NNC(=O)C2=CC=CC=C12
InChI
InChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12)
InChIKey
QRNVHFPDZAZUGX-UHFFFAOYSA-N
Compound name
4-methyl-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

227
Patents

160.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.8
[M+Na]+ 183.05288 146.2
[M+NH4]+ 178.09748 139.5
[M+K]+ 199.02682 139.1
[M-H]- 159.05638 132.6
[M+Na-2H]- 181.03833 138.6
[M]+ 160.06311 133.5
[M]- 160.06421 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe