CID 16227790

28862-12-6

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C10H9N3O2/c14-10(15)9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)
InChIKey
MIGIDQCWBSDLTO-UHFFFAOYSA-N
Compound name
1-benzyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

132
Patents

203.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 143.2
[M+Na]+ 226.05869 155.7
[M+NH4]+ 221.10329 149.7
[M+K]+ 242.03263 152.4
[M-H]- 202.06219 143.9
[M+Na-2H]- 224.04414 150.4
[M]+ 203.06892 144.9
[M]- 203.07002 144.9
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