CID 70275378

7,8-dihydrophthalazin-5(6h)-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CC2=CN=NC=C2C(=O)C1
InChI
InChI=1S/C8H8N2O/c11-8-3-1-2-6-4-9-10-5-7(6)8/h4-5H,1-3H2
InChIKey
QDDCZTAAYQNUTD-UHFFFAOYSA-N
Compound name
7,8-dihydro-6H-phthalazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 128.9
[M+Na]+ 171.05288 142.8
[M+NH4]+ 166.09748 138.0
[M+K]+ 187.02682 135.8
[M-H]- 147.05638 130.8
[M+Na-2H]- 169.03833 136.0
[M]+ 148.06311 131.3
[M]- 148.06421 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe