CID 138112168

2-{1-[(tert-butoxy)carbonyl]-4-methylpiperidin-3-yl}acetic acid

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1CCN(CC1CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-9-5-6-14(8-10(9)7-11(15)16)12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKey
SBGJEGNSXPQTMG-UHFFFAOYSA-N
Compound name
2-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 160.5
[M+Na]+ 280.151938 165.1
[M-H]- 256.155444 160.6
[M+NH4]+ 275.196543 175.6
[M+K]+ 296.125878 164.4
[M+H-H2O]+ 240.159980 154.7
[M+HCOO]- 302.160921 174.3
[M+CH3COO]- 316.176571 193.5
[M+Na-2H]- 278.137386 160.6
[M]+ 257.16217142 159.5
[M]- 257.16326858 159.5
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.