CID 88336

20028-80-2

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CC=C2C(=C1)N=C(N=N2)N
InChI
InChI=1S/C7H6N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,8,9,11)
InChIKey
BHHRGAKNBXQGIO-UHFFFAOYSA-N
Compound name
1,2,4-benzotriazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

321
Patents

146.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06653 127.4
[M+Na]+ 169.04847 137.5
[M-H]- 145.05197 127.8
[M+NH4]+ 164.09307 145.3
[M+K]+ 185.02241 134.1
[M+H-H2O]+ 129.05651 119.4
[M+HCOO]- 191.05745 149.0
[M+CH3COO]- 205.07310 140.7
[M+Na-2H]- 167.03392 138.9
[M]+ 146.05870 125.6
[M]- 146.05980 125.6
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