CID 160736

4165-32-6

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

281
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 130.0
[M+Na]+ 170.02462 137.2
[M-H]- 146.02812 129.7
[M+NH4]+ 165.06922 150.9
[M+K]+ 185.99856 135.1
[M+H-H2O]+ 130.03266 125.1
[M+HCOO]- 192.03360 143.6
[M+CH3COO]- 206.04925 166.5
[M+Na-2H]- 168.01007 129.7
[M]+ 147.03485 127.3
[M]- 147.03595 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