CID 75494263

6-amino-1h-1,2,3-benzotriazol-1-ol

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=CC2=C(C=C1N)N(N=N2)O
InChI
InChI=1S/C6H6N4O/c7-4-1-2-5-6(3-4)10(11)9-8-5/h1-3,11H,7H2
InChIKey
SKEXGWACMUDTLQ-UHFFFAOYSA-N
Compound name
3-hydroxybenzotriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

150.05415 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.061426 126.3
[M+Na]+ 173.043368 138.1
[M-H]- 149.046874 126.4
[M+NH4]+ 168.087973 145.7
[M+K]+ 189.017308 134.8
[M+H-H2O]+ 133.051410 119.2
[M+HCOO]- 195.052351 149.2
[M+CH3COO]- 209.068001 140.4
[M+Na-2H]- 171.028816 135.2
[M]+ 150.05360142 126.4
[M]- 150.05469858 126.4
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

patents stripe