CID 47002873

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

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-8-14(9-11-19)22-15(20)12-4-6-13(18)7-5-12/h4-7,14H,8-11,18H2,1-3H3
InChIKey
PGOLMYYEIPWJPP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminobenzoyl)oxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 176.4
[M+Na]+ 343.16282 180.0
[M-H]- 319.16632 180.4
[M+NH4]+ 338.20742 188.6
[M+K]+ 359.13676 178.4
[M+H-H2O]+ 303.17086 168.2
[M+HCOO]- 365.17180 192.3
[M+CH3COO]- 379.18745 207.7
[M+Na-2H]- 341.14827 176.9
[M]+ 320.17305 174.2
[M]- 320.17415 174.2
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

No patent data available for this compound.