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]+ 264.035876 158.6
[M+Na]+ 286.017818 165.1
[M-H]- 262.021324 161.8
[M+NH4]+ 281.062423 176.8
[M+K]+ 301.991758 162.4
[M+H-H2O]+ 246.025860 152.7
[M+HCOO]- 308.026801 171.4
[M+CH3COO]- 322.042451 192.3
[M+Na-2H]- 284.003266 158.7
[M]+ 263.02805142 163.2
[M]- 263.02914858 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.