CID 484700

Pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide

Structural Information

Molecular Formula
C9H6N4O
SMILES
C1=CC=C2C(=C1)N3C(=CC=N3)N=[N+]2[O-]
InChI
InChI=1S/C9H6N4O/c14-13-8-4-2-1-3-7(8)12-9(11-13)5-6-10-12/h1-6H
InChIKey
DSRIFQOGAKVMES-UHFFFAOYSA-N
Compound name
5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.05415 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06143 135.4
[M+Na]+ 209.04337 147.3
[M-H]- 185.04687 135.5
[M+NH4]+ 204.08797 152.8
[M+K]+ 225.01731 138.3
[M+H-H2O]+ 169.05141 131.5
[M+HCOO]- 231.05235 155.7
[M+CH3COO]- 245.06800 172.3
[M+Na-2H]- 207.02882 148.3
[M]+ 186.05360 135.2
[M]- 186.05470 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe