CID 66486780

1546114-32-2

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC(=N2)CN
InChI
InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18-6-4-9(5-7-18)11-15-10(8-14)16-17-11/h9H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKey
GJQOUBFXUZYQCM-UHFFFAOYSA-N
Compound name
tert-butyl 4-[5-(aminomethyl)-1H-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

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19246 166.9
[M+Na]+ 304.17440 174.2
[M+NH4]+ 299.21900 171.0
[M+K]+ 320.14834 173.4
[M-H]- 280.17790 165.7
[M+Na-2H]- 302.15985 169.3
[M]+ 281.18463 167.0
[M]- 281.18573 167.0
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.