CID 21076144

1-[(dimethylamino)sulfonyl]piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H16N2O4S
SMILES
CN(C)S(=O)(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C8H16N2O4S/c1-9(2)15(13,14)10-5-3-7(4-6-10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey
QGIZIQMGNYFPQB-UHFFFAOYSA-N
Compound name
1-(dimethylsulfamoyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

236.08308 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09036 150.0
[M+Na]+ 259.07230 156.6
[M+NH4]+ 254.11690 155.4
[M+K]+ 275.04624 153.0
[M-H]- 235.07580 148.5
[M+Na-2H]- 257.05775 151.7
[M]+ 236.08253 150.4
[M]- 236.08363 150.4
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