CID 44891233

886364-97-2

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)NCC2=CC=NC=C2
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-4-5-14(12-19)18-11-13-6-8-17-9-7-13/h6-9,14,18H,4-5,10-12H2,1-3H3
InChIKey
LBUYCRLVNHYWHB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 172.1
[M+Na]+ 314.18389 175.3
[M-H]- 290.18739 174.8
[M+NH4]+ 309.22849 184.2
[M+K]+ 330.15783 172.7
[M+H-H2O]+ 274.19193 162.8
[M+HCOO]- 336.19287 187.9
[M+CH3COO]- 350.20852 203.0
[M+Na-2H]- 312.16934 175.6
[M]+ 291.19412 169.1
[M]- 291.19522 169.1
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.