CID 16218270

146603-99-8

Structural Information

Molecular Formula
C16H27NO4
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC=C
InChI
InChI=1S/C16H27NO4/c1-6-8-16(13(18)20-7-2)9-11-17(12-10-16)14(19)21-15(3,4)5/h6H,1,7-12H2,2-5H3
InChIKey
FOOVEGXEARQUBR-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-prop-2-enylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

297.194 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20128 172.1
[M+Na]+ 320.18322 179.4
[M+NH4]+ 315.22782 178.0
[M+K]+ 336.15716 173.9
[M-H]- 296.18672 169.9
[M+Na-2H]- 318.16867 174.5
[M]+ 297.19345 172.3
[M]- 297.19455 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe