CID 427138

106357-10-2

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

34
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 129.3
[M+Na]+ 170.02462 137.0
[M-H]- 146.02812 130.5
[M+NH4]+ 165.06922 151.0
[M+K]+ 185.99856 135.9
[M+H-H2O]+ 130.03266 124.3
[M+HCOO]- 192.03360 144.6
[M+CH3COO]- 206.04925 169.1
[M+Na-2H]- 168.01007 129.5
[M]+ 147.03485 128.5
[M]- 147.03595 128.5
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