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]+ 198.025316 141.2
[M+Na]+ 220.007258 148.7
[M-H]- 196.010764 141.7
[M+NH4]+ 215.051863 160.7
[M+K]+ 235.981198 145.9
[M+H-H2O]+ 180.015300 136.3
[M+HCOO]- 242.016241 150.7
[M+CH3COO]- 256.031891 173.8
[M+Na-2H]- 217.992706 141.7
[M]+ 197.01749142 141.7
[M]- 197.01858858 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