CID 136576238

2225142-49-2

Structural Information

Molecular Formula
C12H22N6O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=NNC(=N2)N
InChI
InChI=1S/C12H22N6O2/c1-12(2,3)20-11(19)18-6-4-8(5-7-18)14-10-15-9(13)16-17-10/h8H,4-7H2,1-3H3,(H4,13,14,15,16,17)
InChIKey
FUBOOQFJLUKTOL-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.18042 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18770 168.6
[M+Na]+ 305.16964 173.0
[M-H]- 281.17314 168.1
[M+NH4]+ 300.21424 179.2
[M+K]+ 321.14358 170.2
[M+H-H2O]+ 265.17768 159.2
[M+HCOO]- 327.17862 182.8
[M+CH3COO]- 341.19427 200.2
[M+Na-2H]- 303.15509 170.2
[M]+ 282.17987 162.9
[M]- 282.18097 162.9
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

No patent data available for this compound.