CID 500334

Nsc691435

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C1C(NC(S1)C(CO)O)C(=O)O
InChI
InChI=1S/C6H11NO4S/c8-1-4(9)5-7-3(2-12-5)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)
InChIKey
XRXLURVUXVKGLW-UHFFFAOYSA-N
Compound name
2-(1,2-dihydroxyethyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 141.2
[M+Na]+ 216.03010 146.3
[M-H]- 192.03360 137.7
[M+NH4]+ 211.07470 158.4
[M+K]+ 232.00404 143.6
[M+H-H2O]+ 176.03814 136.2
[M+HCOO]- 238.03908 150.8
[M+CH3COO]- 252.05473 169.9
[M+Na-2H]- 214.01555 138.7
[M]+ 193.04033 137.3
[M]- 193.04143 137.3
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.