CID 135399369

4-hydroxybenzotriazole

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CC2=NNN=C2C(=C1)O
InChI
InChI=1S/C6H5N3O/c10-5-3-1-2-4-6(5)8-9-7-4/h1-3,10H,(H,7,8,9)
InChIKey
JMTMSDXUXJISAY-UHFFFAOYSA-N
Compound name
2H-benzotriazol-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

74548
Patents

135.04326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 122.7
[M+Na]+ 158.03248 134.1
[M-H]- 134.03598 121.6
[M+NH4]+ 153.07708 142.3
[M+K]+ 174.00642 130.4
[M+H-H2O]+ 118.04052 116.0
[M+HCOO]- 180.04146 143.7
[M+CH3COO]- 194.05711 136.6
[M+Na-2H]- 156.01793 132.4
[M]+ 135.04271 122.3
[M]- 135.04381 122.3
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