CID 53671

77493-04-0

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CC=C2C(=C1)N=C(N=N2)CC(=O)N
InChI
InChI=1S/C9H8N4O/c10-8(14)5-9-11-6-3-1-2-4-7(6)12-13-9/h1-4H,5H2,(H2,10,14)
InChIKey
QETXMGDPXHAZDG-UHFFFAOYSA-N
Compound name
2-(1,2,4-benzotriazin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06981 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 138.8
[M+Na]+ 211.059028 147.9
[M-H]- 187.062534 139.1
[M+NH4]+ 206.103633 154.8
[M+K]+ 227.032968 144.4
[M+H-H2O]+ 171.067070 130.4
[M+HCOO]- 233.068011 159.1
[M+CH3COO]- 247.083661 184.4
[M+Na-2H]- 209.044476 148.0
[M]+ 188.06926142 137.9
[M]- 188.07035858 137.9
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.