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]+ 190.072336 137.5
[M+Na]+ 212.054278 146.2
[M-H]- 188.057784 138.0
[M+NH4]+ 207.098883 153.2
[M+K]+ 228.028218 143.0
[M+H-H2O]+ 172.062320 129.0
[M+HCOO]- 234.063261 159.3
[M+CH3COO]- 248.078911 149.7
[M+Na-2H]- 210.039726 147.9
[M]+ 189.06451142 135.5
[M]- 189.06560858 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.