CID 160736

2-methylthiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H9NO2S
SMILES
CC1NC(CS1)C(=O)O
InChI
InChI=1S/C5H9NO2S/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)
InChIKey
FHTPNEYXMGZOSH-UHFFFAOYSA-N
Compound name
2-methyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

266
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 130.0
[M+Na]+ 170.024618 137.2
[M-H]- 146.028124 129.7
[M+NH4]+ 165.069223 150.9
[M+K]+ 185.998558 135.1
[M+H-H2O]+ 130.032660 125.1
[M+HCOO]- 192.033601 143.6
[M+CH3COO]- 206.049251 166.5
[M+Na-2H]- 168.010066 129.7
[M]+ 147.03485142 127.3
[M]- 147.03594858 127.3
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