CID 22469198

1-[(tert-butoxy)carbonyl]-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC=C)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKey
UGTKWOXHHSBNNQ-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

65
Patents

269.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 163.1
[M+Na]+ 292.15194 167.6
[M-H]- 268.15544 163.0
[M+NH4]+ 287.19654 179.4
[M+K]+ 308.12588 166.4
[M+H-H2O]+ 252.15998 158.0
[M+HCOO]- 314.16092 176.8
[M+CH3COO]- 328.17657 193.9
[M+Na-2H]- 290.13739 164.8
[M]+ 269.16217 161.8
[M]- 269.16327 161.8
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