CID 51698364

Tert-butyl (3r)-3-(benzylamino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)NCC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-15(13-19)18-12-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m1/s1
InChIKey
PYOZLJFLGIAVOE-OAHLLOKOSA-N
Compound name
tert-butyl (3R)-3-(benzylamino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

290.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 171.8
[M+Na]+ 313.188648 174.6
[M-H]- 289.192154 175.8
[M+NH4]+ 308.233253 185.4
[M+K]+ 329.162588 172.0
[M+H-H2O]+ 273.196690 163.3
[M+HCOO]- 335.197631 188.7
[M+CH3COO]- 349.213281 203.2
[M+Na-2H]- 311.174096 174.7
[M]+ 290.19888142 168.7
[M]- 290.19997858 168.7
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.