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]+ 176.08183 135.3
[M+Na]+ 198.06377 146.1
[M-H]- 174.06727 136.3
[M+NH4]+ 193.10837 153.3
[M+K]+ 214.03771 141.6
[M+H-H2O]+ 158.07181 128.4
[M+HCOO]- 220.07275 156.4
[M+CH3COO]- 234.08840 148.4
[M+Na-2H]- 196.04922 143.6
[M]+ 175.07400 133.4
[M]- 175.07510 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.