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]+ 194.048156 141.2
[M+Na]+ 216.030098 146.3
[M-H]- 192.033604 137.7
[M+NH4]+ 211.074703 158.4
[M+K]+ 232.004038 143.6
[M+H-H2O]+ 176.038140 136.2
[M+HCOO]- 238.039081 150.8
[M+CH3COO]- 252.054731 169.9
[M+Na-2H]- 214.015546 138.7
[M]+ 193.04033142 137.3
[M]- 193.04142858 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.