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]+ 189.07709 138.8
[M+Na]+ 211.05903 147.9
[M-H]- 187.06253 139.1
[M+NH4]+ 206.10363 154.8
[M+K]+ 227.03297 144.4
[M+H-H2O]+ 171.06707 130.4
[M+HCOO]- 233.06801 159.1
[M+CH3COO]- 247.08366 184.4
[M+Na-2H]- 209.04448 148.0
[M]+ 188.06926 137.9
[M]- 188.07036 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.