CID 25312763

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

Structural Information

Molecular Formula
C10H10N4O2
SMILES
COC(=O)C1=CN(N=N1)C2=CC=CC=C2N
InChI
InChI=1S/C10H10N4O2/c1-16-10(15)8-6-14(13-12-8)9-5-3-2-4-7(9)11/h2-6H,11H2,1H3
InChIKey
FSDBEVNKQDEPRV-UHFFFAOYSA-N
Compound name
methyl 1-(2-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]+ 219.087646 146.0
[M+Na]+ 241.069588 155.2
[M-H]- 217.073094 149.2
[M+NH4]+ 236.114193 161.7
[M+K]+ 257.043528 152.5
[M+H-H2O]+ 201.077630 137.0
[M+HCOO]- 263.078571 168.6
[M+CH3COO]- 277.094221 188.1
[M+Na-2H]- 239.055036 150.5
[M]+ 218.07982142 146.5
[M]- 218.08091858 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.