CID 75481316

Tert-butyl 3-amino-1h-1,2,4-triazole-1-carboxylate

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CC(C)(C)OC(=O)N1C=NC(=N1)N
InChI
InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)11-4-9-5(8)10-11/h4H,1-3H3,(H2,8,10)
InChIKey
FJXSRCUWKNZLHE-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-1,2,4-triazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

184.09602 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 140.7
[M+Na]+ 207.085238 149.6
[M-H]- 183.088744 140.7
[M+NH4]+ 202.129843 158.2
[M+K]+ 223.059178 149.0
[M+H-H2O]+ 167.093280 133.5
[M+HCOO]- 229.094221 161.3
[M+CH3COO]- 243.109871 181.3
[M+Na-2H]- 205.070686 145.8
[M]+ 184.09547142 141.5
[M]- 184.09656858 141.5
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

patents stripe