CID 121552414

1-[(tert-butoxy)carbonyl]-4-methanesulfinylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H21NO5S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)S(=O)C
InChI
InChI=1S/C12H21NO5S/c1-11(2,3)18-10(16)13-7-5-12(6-8-13,9(14)15)19(4)17/h5-8H2,1-4H3,(H,14,15)
InChIKey
NAFNGVKOYRJMIY-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfinylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11404 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12132 165.6
[M+Na]+ 314.10326 171.5
[M+NH4]+ 309.14786 171.3
[M+K]+ 330.07720 166.7
[M-H]- 290.10676 162.3
[M+Na-2H]- 312.08871 167.2
[M]+ 291.11349 165.6
[M]- 291.11459 165.6
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.