CID 57418

Brn 0170981

Structural Information

Molecular Formula
C8H7N5O
SMILES
C1=CC=C2C(=C1)N=C(N=N2)C(=O)NN
InChI
InChI=1S/C8H7N5O/c9-11-8(14)7-10-5-3-1-2-4-6(5)12-13-7/h1-4H,9H2,(H,11,14)
InChIKey
MBVVFKFDUCBPQV-UHFFFAOYSA-N
Compound name
1,2,4-benzotriazine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.06506 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07234 137.5
[M+Na]+ 212.05428 146.2
[M-H]- 188.05778 138.0
[M+NH4]+ 207.09888 153.2
[M+K]+ 228.02822 143.0
[M+H-H2O]+ 172.06232 129.0
[M+HCOO]- 234.06326 159.3
[M+CH3COO]- 248.07891 149.7
[M+Na-2H]- 210.03973 147.9
[M]+ 189.06451 135.5
[M]- 189.06561 135.5
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.