CID 22266191

199105-03-8

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2N
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-8-12(9-11-18)13-6-4-5-7-14(13)17/h4-7,12H,8-11,17H2,1-3H3
InChIKey
BSLRAYZVIBFRQQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminophenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

276.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.9
[M+Na]+ 299.17300 172.1
[M-H]- 275.17650 172.0
[M+NH4]+ 294.21760 182.1
[M+K]+ 315.14694 169.4
[M+H-H2O]+ 259.18104 160.0
[M+HCOO]- 321.18198 184.5
[M+CH3COO]- 335.19763 200.8
[M+Na-2H]- 297.15845 169.6
[M]+ 276.18323 163.8
[M]- 276.18433 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