CID 91647484

1788722-27-9

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C(=N2)N)C
InChI
InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18-7-5-9(6-8-18)10-15-11(14)17(4)16-10/h9H,5-8H2,1-4H3,(H2,14,15,16)
InChIKey
XQLUBYAEDRIRFL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.18518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19246 170.5
[M+Na]+ 304.17440 176.8
[M-H]- 280.17790 171.5
[M+NH4]+ 299.21900 182.6
[M+K]+ 320.14834 174.4
[M+H-H2O]+ 264.18244 161.3
[M+HCOO]- 326.18338 184.7
[M+CH3COO]- 340.19903 201.5
[M+Na-2H]- 302.15985 170.5
[M]+ 281.18463 168.1
[M]- 281.18573 168.1
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.