CID 165894586

2166811-84-1

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]+ 199.118956 145.0
[M+Na]+ 221.100898 153.3
[M-H]- 197.104404 144.7
[M+NH4]+ 216.145503 161.8
[M+K]+ 237.074838 152.5
[M+H-H2O]+ 181.108940 137.5
[M+HCOO]- 243.109881 165.2
[M+CH3COO]- 257.125531 185.0
[M+Na-2H]- 219.086346 149.5
[M]+ 198.11113142 146.2
[M]- 198.11222858 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.