CID 98928

Folcisteine

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

278
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 137.7
[M+Na]+ 198.01954 145.3
[M+NH4]+ 193.06414 144.5
[M+K]+ 213.99348 142.1
[M-H]- 174.02304 136.2
[M+Na-2H]- 196.00499 138.8
[M]+ 175.02977 138.3
[M]- 175.03087 138.3
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