CID 97180408

Tert-butyl 4-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)CN
InChI
InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)17-6-4-11(5-7-17)18-9-10(8-14)15-16-18/h9,11H,4-8,14H2,1-3H3
InChIKey
ZBVAVTOHPUDXRL-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(aminomethyl)triazol-1-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.18518 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19246 170.0
[M+Na]+ 304.17440 175.3
[M-H]- 280.17790 170.6
[M+NH4]+ 299.21900 181.7
[M+K]+ 320.14834 173.0
[M+H-H2O]+ 264.18244 160.4
[M+HCOO]- 326.18338 184.2
[M+CH3COO]- 340.19903 200.2
[M+Na-2H]- 302.15985 170.7
[M]+ 281.18463 167.1
[M]- 281.18573 167.1
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.