CID 79794

3-thiazolidineethanesulfonic acid

Structural Information

Molecular Formula
C5H11NO3S2
SMILES
C1CSCN1CCS(=O)(=O)O
InChI
InChI=1S/C5H11NO3S2/c7-11(8,9)4-2-6-1-3-10-5-6/h1-5H2,(H,7,8,9)
InChIKey
BEBVCXRNDYZFHX-UHFFFAOYSA-N
Compound name
2-(1,3-thiazolidin-3-yl)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.01804 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.02532 141.2
[M+Na]+ 220.00726 148.7
[M-H]- 196.01076 141.7
[M+NH4]+ 215.05186 160.7
[M+K]+ 235.98120 145.9
[M+H-H2O]+ 180.01530 136.3
[M+HCOO]- 242.01624 150.7
[M+CH3COO]- 256.03189 173.8
[M+Na-2H]- 217.99271 141.7
[M]+ 197.01749 141.7
[M]- 197.01859 141.7
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

patents stripe