CID 121552326

Tert-butyl n-{[1-(piperidin-3-yl)-1h-1,2,3-triazol-4-yl]methyl}carbamate

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CC(C)(C)OC(=O)NCC1=CN(N=N1)C2CCCNC2
InChI
InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)15-7-10-9-18(17-16-10)11-5-4-6-14-8-11/h9,11,14H,4-8H2,1-3H3,(H,15,19)
InChIKey
OWIKJTPGPPMAEM-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-piperidin-3-yltriazol-4-yl)methyl]carbamate
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 166.6
[M+Na]+ 304.17440 173.9
[M+NH4]+ 299.21900 170.9
[M+K]+ 320.14834 172.6
[M-H]- 280.17790 165.5
[M+Na-2H]- 302.15985 169.8
[M]+ 281.18463 166.7
[M]- 281.18573 166.7
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.