CID 181649

1-hydroxy-7-azabenzotriazole

Structural Information

Molecular Formula
C5H4N4O
SMILES
C1=CC2=C(N=C1)N(N=N2)O
InChI
InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H
InChIKey
FPIRBHDGWMWJEP-UHFFFAOYSA-N
Compound name
3-hydroxytriazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

43872
Patents

136.03851 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04579 122.6
[M+Na]+ 159.02773 134.8
[M-H]- 135.03123 121.5
[M+NH4]+ 154.07233 141.4
[M+K]+ 175.00167 132.0
[M+H-H2O]+ 119.03577 114.8
[M+HCOO]- 181.03671 144.0
[M+CH3COO]- 195.05236 136.7
[M+Na-2H]- 157.01318 133.1
[M]+ 136.03796 124.1
[M]- 136.03906 124.1
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