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

89
Patents

290.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.3
[M+Na]+ 313.18865 177.0
[M-H]- 289.19215 176.6
[M+NH4]+ 308.23325 186.3
[M+K]+ 329.16259 174.2
[M+H-H2O]+ 273.19669 164.4
[M+HCOO]- 335.19763 188.5
[M+CH3COO]- 349.21328 205.1
[M+Na-2H]- 311.17410 172.7
[M]+ 290.19888 169.0
[M]- 290.19998 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