CID 136171145

89403-96-3

Structural Information

Molecular Formula
C5H5N5O2
SMILES
CN1C2=C(C=N1)C(=O)N[N+](=N2)[O-]
InChI
InChI=1S/C5H5N5O2/c1-9-4-3(2-6-9)5(11)8-10(12)7-4/h2H,1H3,(H,7,8,11)
InChIKey
SLSDPISSGJAADR-UHFFFAOYSA-N
Compound name
7-methyl-2-oxido-3H-pyrazolo[5,4-d]triazin-2-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.04433 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.051606 130.5
[M+Na]+ 190.033548 143.7
[M-H]- 166.037054 127.8
[M+NH4]+ 185.078153 146.0
[M+K]+ 206.007488 135.2
[M+H-H2O]+ 150.041590 127.4
[M+HCOO]- 212.042531 149.8
[M+CH3COO]- 226.058181 165.1
[M+Na-2H]- 188.018996 141.6
[M]+ 167.04378142 129.7
[M]- 167.04487858 129.7
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.