CID 165894586

Tert-butyl2-(4-amino-2h-1,2,3-triazol-2-yl)acetate

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CC(C)(C)OC(=O)CN1N=CC(=N1)N
InChI
InChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)5-12-10-4-6(9)11-12/h4H,5H2,1-3H3,(H2,9,11)
InChIKey
YBHKHDGKBNOIPD-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-aminotriazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11168 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11896 145.0
[M+Na]+ 221.10090 153.3
[M-H]- 197.10440 144.7
[M+NH4]+ 216.14550 161.8
[M+K]+ 237.07484 152.5
[M+H-H2O]+ 181.10894 137.5
[M+HCOO]- 243.10988 165.2
[M+CH3COO]- 257.12553 185.0
[M+Na-2H]- 219.08635 149.5
[M]+ 198.11113 146.2
[M]- 198.11223 146.2
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.