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]+ 321.180876 176.4
[M+Na]+ 343.162818 180.0
[M-H]- 319.166324 180.4
[M+NH4]+ 338.207423 188.6
[M+K]+ 359.136758 178.4
[M+H-H2O]+ 303.170860 168.2
[M+HCOO]- 365.171801 192.3
[M+CH3COO]- 379.187451 207.7
[M+Na-2H]- 341.148266 176.9
[M]+ 320.17305142 174.2
[M]- 320.17414858 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.