CID 115336099

1548085-92-2

Structural Information

Molecular Formula
C9H11NO4S2
SMILES
C1CS(=O)(=O)CC1C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C9H11NO4S2/c11-8(12)3-7-4-15-9(10-7)6-1-2-16(13,14)5-6/h4,6H,1-3,5H2,(H,11,12)
InChIKey
MRFONOUDCDVXKN-UHFFFAOYSA-N
Compound name
2-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.01294 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02022 156.7
[M+Na]+ 284.00216 164.1
[M+NH4]+ 279.04676 164.6
[M+K]+ 299.97610 158.3
[M-H]- 260.00566 156.6
[M+Na-2H]- 281.98761 159.9
[M]+ 261.01239 158.3
[M]- 261.01349 158.3
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.