CID 58166533

Tert-butyl 4-(4-amino-2-methylphenyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1=C(C=CC(=C1)N)C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H26N2O2/c1-12-11-14(18)5-6-15(12)13-7-9-19(10-8-13)16(20)21-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKey
OLCJRLSBFJRSMZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-2-methylphenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

290.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 172.3
[M+Na]+ 313.188648 177.0
[M-H]- 289.192154 176.6
[M+NH4]+ 308.233253 186.3
[M+K]+ 329.162588 174.2
[M+H-H2O]+ 273.196690 164.4
[M+HCOO]- 335.197631 188.5
[M+CH3COO]- 349.213281 205.1
[M+Na-2H]- 311.174096 172.7
[M]+ 290.19888142 169.0
[M]- 290.19997858 169.0
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