CID 165992260

2-(1,1-dioxo-2,3-dihydro-1lambda6,2-thiazol-2-yl)acetic acid

Structural Information

Molecular Formula
C5H7NO4S
SMILES
C1C=CS(=O)(=O)N1CC(=O)O
InChI
InChI=1S/C5H7NO4S/c7-5(8)4-6-2-1-3-11(6,9)10/h1,3H,2,4H2,(H,7,8)
InChIKey
JKMBXFFKKYVICO-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-3H-1,2-thiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.00958 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.01686 131.1
[M+Na]+ 199.99880 140.8
[M-H]- 176.00230 132.9
[M+NH4]+ 195.04340 153.4
[M+K]+ 215.97274 139.4
[M+H-H2O]+ 160.00684 127.0
[M+HCOO]- 222.00778 148.6
[M+CH3COO]- 236.02343 170.8
[M+Na-2H]- 197.98425 134.1
[M]+ 177.00903 133.6
[M]- 177.01013 133.6
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.