CID 165903274

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

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC(C)(C)OC(=O)C1=CN(N=N1)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)11-8-17(16-15-11)10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3
InChIKey
UOPQNFVWXODHHC-UHFFFAOYSA-N
Compound name
tert-butyl 1-(4-aminophenyl)triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.134596 160.8
[M+Na]+ 283.116538 169.1
[M-H]- 259.120044 163.9
[M+NH4]+ 278.161143 174.9
[M+K]+ 299.090478 166.3
[M+H-H2O]+ 243.124580 152.1
[M+HCOO]- 305.125521 180.8
[M+CH3COO]- 319.141171 196.8
[M+Na-2H]- 281.101986 164.6
[M]+ 260.12677142 161.7
[M]- 260.12786858 161.7
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.