CID 16227473

4-(n-methylthiophene-2-sulfonamido)butanoic acid

Structural Information

Molecular Formula
C9H13NO4S2
SMILES
CN(CCCC(=O)O)S(=O)(=O)C1=CC=CS1
InChI
InChI=1S/C9H13NO4S2/c1-10(6-2-4-8(11)12)16(13,14)9-5-3-7-15-9/h3,5,7H,2,4,6H2,1H3,(H,11,12)
InChIKey
ILEQUZALEBCGBU-UHFFFAOYSA-N
Compound name
4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0286 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03588 158.6
[M+Na]+ 286.01782 165.1
[M-H]- 262.02132 161.8
[M+NH4]+ 281.06242 176.8
[M+K]+ 301.99176 162.4
[M+H-H2O]+ 246.02586 152.7
[M+HCOO]- 308.02680 171.4
[M+CH3COO]- 322.04245 192.3
[M+Na-2H]- 284.00327 158.7
[M]+ 263.02805 163.2
[M]- 263.02915 163.2
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.