CID 427138

38254-70-5

Structural Information

Molecular Formula
C5H9NO2S
SMILES
CN1CSCC1C(=O)O
InChI
InChI=1S/C5H9NO2S/c1-6-3-9-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey
HAWVIMZLOKHWMU-UHFFFAOYSA-N
Compound name
3-methyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

147.0354 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 130.4
[M+Na]+ 170.02462 139.0
[M+NH4]+ 165.06922 138.4
[M+K]+ 185.99856 134.8
[M-H]- 146.02812 130.0
[M+Na-2H]- 168.01007 132.6
[M]+ 147.03485 131.6
[M]- 147.03595 131.6
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

patents stripe