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

5
Patents

276.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 167.3
[M+Na]+ 299.172998 170.6
[M-H]- 275.176504 171.5
[M+NH4]+ 294.217603 181.5
[M+K]+ 315.146938 168.2
[M+H-H2O]+ 259.181040 159.0
[M+HCOO]- 321.181981 184.5
[M+CH3COO]- 335.197631 200.2
[M+Na-2H]- 297.158446 170.8
[M]+ 276.18323142 163.8
[M]- 276.18432858 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