CID 23760093

Methyl 1-(3-aminophenyl)-1h-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula
C10H10N4O2
SMILES
COC(=O)C1=CN(N=N1)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H10N4O2/c1-16-10(15)9-6-14(13-12-9)8-4-2-3-7(11)5-8/h2-6H,11H2,1H3
InChIKey
ODJXAOSGBXOSSI-UHFFFAOYSA-N
Compound name
methyl 1-(3-aminophenyl)triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08037 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 146.0
[M+Na]+ 241.06959 155.2
[M-H]- 217.07309 149.2
[M+NH4]+ 236.11419 161.7
[M+K]+ 257.04353 152.5
[M+H-H2O]+ 201.07763 137.0
[M+HCOO]- 263.07857 168.6
[M+CH3COO]- 277.09422 188.1
[M+Na-2H]- 239.05504 150.5
[M]+ 218.07982 146.5
[M]- 218.08092 146.5
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

No patent data available for this compound.