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]+ 282.192456 169.8
[M+Na]+ 304.174398 173.3
[M-H]- 280.177904 167.8
[M+NH4]+ 299.219003 180.1
[M+K]+ 320.148338 169.7
[M+H-H2O]+ 264.182440 160.4
[M+HCOO]- 326.183381 181.7
[M+CH3COO]- 340.199031 194.8
[M+Na-2H]- 302.159846 171.5
[M]+ 281.18463142 163.9
[M]- 281.18572858 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.