CID 9934

Timonacic

Structural Information

Molecular Formula
C4H7NO2S
SMILES
C1C(NCS1)C(=O)O
InChI
InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKey
DZLNHFMRPBPULJ-UHFFFAOYSA-N
Compound name
1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

245
References

24094
Patents

133.01974 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 126.1
[M+Na]+ 156.008958 132.9
[M-H]- 132.012464 125.6
[M+NH4]+ 151.053563 147.2
[M+K]+ 171.982898 131.1
[M+H-H2O]+ 116.017000 121.0
[M+HCOO]- 178.017941 140.1
[M+CH3COO]- 192.033591 162.3
[M+Na-2H]- 153.994406 126.9
[M]+ 133.01919142 122.6
[M]- 133.02028858 122.6
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