CID 22499486

301225-52-5

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=CN=CC=C2
InChI
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-12(7-10-18)17-13-5-4-8-16-11-13/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKey
SGWSPSSRJWXVTE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

277.17902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 167.7
[M+Na]+ 300.168238 171.3
[M-H]- 276.171744 170.6
[M+NH4]+ 295.212843 180.4
[M+K]+ 316.142178 168.9
[M+H-H2O]+ 260.176280 158.6
[M+HCOO]- 322.177221 183.8
[M+CH3COO]- 336.192871 200.0
[M+Na-2H]- 298.153686 171.7
[M]+ 277.17847142 164.3
[M]- 277.17956858 164.3
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

patents stripe