CID 75771

1-hydroxybenzotriazole

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CC=C2C(=C1)N=NN2O
InChI
InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
InChIKey
ASOKPJOREAFHNY-UHFFFAOYSA-N
Compound name
1-hydroxybenzotriazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

277
References

84261
Patents

135.04326 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 122.1
[M+Na]+ 158.03248 133.9
[M-H]- 134.03598 122.3
[M+NH4]+ 153.07708 142.4
[M+K]+ 174.00642 131.1
[M+H-H2O]+ 118.04052 115.0
[M+HCOO]- 180.04146 144.6
[M+CH3COO]- 194.05711 136.6
[M+Na-2H]- 156.01793 132.2
[M]+ 135.04271 123.5
[M]- 135.04381 123.5
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