CID 3773043

Benzotriazole-1-carboxamide

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC=C2C(=C1)N=NN2C(=O)N
InChI
InChI=1S/C7H6N4O/c8-7(12)11-6-4-2-1-3-5(6)9-10-11/h1-4H,(H2,8,12)
InChIKey
UUMXWUNNKCQWHS-UHFFFAOYSA-N
Compound name
benzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

260
Patents

162.05415 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.061426 129.8
[M+Na]+ 185.043368 140.8
[M-H]- 161.046874 131.0
[M+NH4]+ 180.087973 149.1
[M+K]+ 201.017308 138.1
[M+H-H2O]+ 145.051410 122.1
[M+HCOO]- 207.052351 153.2
[M+CH3COO]- 221.068001 143.8
[M+Na-2H]- 183.028816 138.3
[M]+ 162.05360142 130.4
[M]- 162.05469858 130.4
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