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

40
Patents

147.0354 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 129.3
[M+Na]+ 170.024618 137.0
[M-H]- 146.028124 130.5
[M+NH4]+ 165.069223 151.0
[M+K]+ 185.998558 135.9
[M+H-H2O]+ 130.032660 124.3
[M+HCOO]- 192.033601 144.6
[M+CH3COO]- 206.049251 169.1
[M+Na-2H]- 168.010066 129.5
[M]+ 147.03485142 128.5
[M]- 147.03594858 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