CID 46941973

1263286-45-8

Structural Information

Molecular Formula
C11H20N6O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=N2)N
InChI
InChI=1S/C11H20N6O2/c1-11(2,3)19-10(18)17-6-4-16(5-7-17)9-13-8(12)14-15-9/h4-7H2,1-3H3,(H3,12,13,14,15)
InChIKey
FMFWXSKIJZNPNK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-amino-1H-1,2,4-triazol-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.16476 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17204 166.7
[M+Na]+ 291.15398 172.5
[M-H]- 267.15748 165.1
[M+NH4]+ 286.19858 176.9
[M+K]+ 307.12792 169.6
[M+H-H2O]+ 251.16202 157.1
[M+HCOO]- 313.16296 178.8
[M+CH3COO]- 327.17861 195.0
[M+Na-2H]- 289.13943 167.9
[M]+ 268.16421 161.9
[M]- 268.16531 161.9
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