CID 132398468

2172559-83-8

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CC(C)(C)OC(=O)NCC1=NC(=NN1)C2CCNCC2
InChI
InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)15-8-10-16-11(18-17-10)9-4-6-14-7-5-9/h9,14H,4-8H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKey
FCXJWXOARUZMMX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.18518 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19246 169.8
[M+Na]+ 304.17440 173.3
[M-H]- 280.17790 167.8
[M+NH4]+ 299.21900 180.1
[M+K]+ 320.14834 169.7
[M+H-H2O]+ 264.18244 160.4
[M+HCOO]- 326.18338 181.7
[M+CH3COO]- 340.19903 194.8
[M+Na-2H]- 302.15985 171.5
[M]+ 281.18463 163.9
[M]- 281.18573 163.9
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.