CID 10565452

158144-82-2

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3
InChIKey
BHMYNEIUXQIVTL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

290.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 172.2
[M+Na]+ 313.188648 176.0
[M-H]- 289.192154 176.0
[M+NH4]+ 308.233253 187.6
[M+K]+ 329.162588 173.5
[M+H-H2O]+ 273.196690 164.6
[M+HCOO]- 335.197631 188.5
[M+CH3COO]- 349.213281 202.1
[M+Na-2H]- 311.174096 175.3
[M]+ 290.19888142 168.4
[M]- 290.19997858 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe