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 170.5
[M+Na]+ 304.17440 175.3
[M-H]- 280.17790 169.7
[M+NH4]+ 299.21900 181.5
[M+K]+ 320.14834 172.2
[M+H-H2O]+ 264.18244 161.2
[M+HCOO]- 326.18338 183.2
[M+CH3COO]- 340.19903 197.9
[M+Na-2H]- 302.15985 170.8
[M]+ 281.18463 165.8
[M]- 281.18573 165.8
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.