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
2
Annotation Hits

6
References

285
Patents

175.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03760 136.4
[M+Na]+ 198.01954 143.5
[M-H]- 174.02304 137.5
[M+NH4]+ 193.06414 156.7
[M+K]+ 213.99348 142.5
[M+H-H2O]+ 158.02758 131.2
[M+HCOO]- 220.02852 150.6
[M+CH3COO]- 234.04417 173.5
[M+Na-2H]- 196.00499 135.1
[M]+ 175.02977 136.0
[M]- 175.03087 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