CID 11161531

862711-13-5

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCCC1(CC=C)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-5-8-14(11(16)17)9-6-7-10-15(14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKey
ZQVNTVMOUXIFCN-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.5
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

No patent data available for this compound.