CID 3159575

2-(2-methanesulfonamido-1,3-thiazol-4-yl)acetic acid

Structural Information

Molecular Formula
C6H8N2O4S2
SMILES
CS(=O)(=O)NC1=NC(=CS1)CC(=O)O
InChI
InChI=1S/C6H8N2O4S2/c1-14(11,12)8-6-7-4(3-13-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKey
FOYGOEJLNFZKGH-UHFFFAOYSA-N
Compound name
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

235.99255 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99983 148.2
[M+Na]+ 258.98177 156.7
[M-H]- 234.98527 149.4
[M+NH4]+ 254.02637 165.8
[M+K]+ 274.95571 153.1
[M+H-H2O]+ 218.98981 142.6
[M+HCOO]- 280.99075 160.3
[M+CH3COO]- 295.00640 184.0
[M+Na-2H]- 256.96722 149.5
[M]+ 235.99200 151.3
[M]- 235.99310 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe