CID 165903274

En300-27723132

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]+ 261.13460 160.8
[M+Na]+ 283.11654 169.1
[M-H]- 259.12004 163.9
[M+NH4]+ 278.16114 174.9
[M+K]+ 299.09048 166.3
[M+H-H2O]+ 243.12458 152.1
[M+HCOO]- 305.12552 180.8
[M+CH3COO]- 319.14117 196.8
[M+Na-2H]- 281.10199 164.6
[M]+ 260.12677 161.7
[M]- 260.12787 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.