CID 204613

16676-82-7

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=NNC(=O)C2=C1C=CC=C2N
InChI
InChI=1S/C9H9N3O/c1-5-6-3-2-4-7(10)8(6)9(13)12-11-5/h2-4H,10H2,1H3,(H,12,13)
InChIKey
SHTYMTTVPPPKDI-UHFFFAOYSA-N
Compound name
8-amino-4-methyl-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.3
[M+Na]+ 198.063768 146.1
[M-H]- 174.067274 136.3
[M+NH4]+ 193.108373 153.3
[M+K]+ 214.037708 141.6
[M+H-H2O]+ 158.071810 128.4
[M+HCOO]- 220.072751 156.4
[M+CH3COO]- 234.088401 148.4
[M+Na-2H]- 196.049216 143.6
[M]+ 175.07400142 133.4
[M]- 175.07509858 133.4
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

No patent data available for this compound.