CID 56828082

Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C9H18N2O4S
SMILES
COC(=O)C1CCN(CC1)CCS(=O)(=O)N
InChI
InChI=1S/C9H18N2O4S/c1-15-9(12)8-2-4-11(5-3-8)6-7-16(10,13)14/h8H,2-7H2,1H3,(H2,10,13,14)
InChIKey
AKYOQUSGOPGRHZ-UHFFFAOYSA-N
Compound name
methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09872 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10600 154.4
[M+Na]+ 273.08794 159.3
[M-H]- 249.09144 155.3
[M+NH4]+ 268.13254 169.8
[M+K]+ 289.06188 157.6
[M+H-H2O]+ 233.09598 147.9
[M+HCOO]- 295.09692 167.2
[M+CH3COO]- 309.11257 190.6
[M+Na-2H]- 271.07339 155.3
[M]+ 250.09817 153.8
[M]- 250.09927 153.8
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

No patent data available for this compound.