CID 98928

3-acetylthiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C6H9NO3S
SMILES
CC(=O)N1CSCC1C(=O)O
InChI
InChI=1S/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)
InChIKey
WXTBYSIPOKXCPM-UHFFFAOYSA-N
Compound name
3-acetyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

332
Patents

175.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.037596 136.4
[M+Na]+ 198.019538 143.5
[M-H]- 174.023044 137.5
[M+NH4]+ 193.064143 156.7
[M+K]+ 213.993478 142.5
[M+H-H2O]+ 158.027580 131.2
[M+HCOO]- 220.028521 150.6
[M+CH3COO]- 234.044171 173.5
[M+Na-2H]- 196.004986 135.1
[M]+ 175.02977142 136.0
[M]- 175.03086858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe