CID 45074223

959236-11-4

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CC=C)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-5-7-14(11(16)17)8-6-9-15(10-14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKey
JSILKJJKWZCJME-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

269.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 163.1
[M+Na]+ 292.151938 167.6
[M-H]- 268.155444 163.0
[M+NH4]+ 287.196543 179.4
[M+K]+ 308.125878 166.4
[M+H-H2O]+ 252.159980 158.0
[M+HCOO]- 314.160921 176.8
[M+CH3COO]- 328.176571 193.9
[M+Na-2H]- 290.137386 164.8
[M]+ 269.16217142 161.8
[M]- 269.16326858 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

No literature data available for this compound.

Patent stripe

patents stripe