CID 21876872

Tert-butyl 4-(4-aminobenzyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12,18H2,1-3H3
InChIKey
TYSWJDYRGCLWNZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(4-aminophenyl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

290.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 172.4
[M+Na]+ 313.188648 176.2
[M-H]- 289.192154 176.3
[M+NH4]+ 308.233253 186.1
[M+K]+ 329.162588 173.3
[M+H-H2O]+ 273.196690 164.3
[M+HCOO]- 335.197631 188.6
[M+CH3COO]- 349.213281 203.8
[M+Na-2H]- 311.174096 173.6
[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

patents stripe