CID 484707

5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile

Structural Information

Molecular Formula
C10H5N5O
SMILES
C1=CC=C2C(=C1)N3C(=C(C=N3)C#N)N=[N+]2[O-]
InChI
InChI=1S/C10H5N5O/c11-5-7-6-12-14-8-3-1-2-4-9(8)15(16)13-10(7)14/h1-4,6H
InChIKey
HPVPDVYZYXHYKA-UHFFFAOYSA-N
Compound name
5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04941 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05669 145.4
[M+Na]+ 234.03863 158.5
[M-H]- 210.04213 143.6
[M+NH4]+ 229.08323 159.4
[M+K]+ 250.01257 147.6
[M+H-H2O]+ 194.04667 133.7
[M+HCOO]- 256.04761 161.1
[M+CH3COO]- 270.06326 190.0
[M+Na-2H]- 232.02408 155.3
[M]+ 211.04886 140.0
[M]- 211.04996 140.0
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.