CID 71741822

876377-58-1

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1CCCN(C1)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-13-8-7-11-18(12-13)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKey
AXNPXXNGNOMESU-ZDUSSCGKSA-N
Compound name
tert-butyl N-[(3S)-1-phenylpiperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.3
[M+Na]+ 299.17300 170.6
[M-H]- 275.17650 171.5
[M+NH4]+ 294.21760 181.5
[M+K]+ 315.14694 168.2
[M+H-H2O]+ 259.18104 159.0
[M+HCOO]- 321.18198 184.5
[M+CH3COO]- 335.19763 200.2
[M+Na-2H]- 297.15845 170.8
[M]+ 276.18323 163.8
[M]- 276.18433 163.8
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