CID 21076144

1017381-49-5

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 149.0
[M+Na]+ 259.07230 153.9
[M-H]- 235.07580 150.6
[M+NH4]+ 254.11690 165.1
[M+K]+ 275.04624 153.3
[M+H-H2O]+ 219.08034 142.7
[M+HCOO]- 281.08128 161.7
[M+CH3COO]- 295.09693 189.8
[M+Na-2H]- 257.05775 150.4
[M]+ 236.08253 148.5
[M]- 236.08363 148.5
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

patents stripe