CID 57225123

6-sulfamoylhexanoic acid

Structural Information

Molecular Formula
C6H13NO4S
SMILES
C(CCC(=O)O)CCS(=O)(=O)N
InChI
InChI=1S/C6H13NO4S/c7-12(10,11)5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)(H2,7,10,11)
InChIKey
NSKZKCIYKKBCAS-UHFFFAOYSA-N
Compound name
6-sulfamoylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

195.05653 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 142.2
[M+Na]+ 218.04575 148.3
[M+NH4]+ 213.09035 147.2
[M+K]+ 234.01969 144.2
[M-H]- 194.04925 138.7
[M+Na-2H]- 216.03120 142.2
[M]+ 195.05598 142.0
[M]- 195.05708 142.0
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