CID 42486

Thiazolidine-2-carboxylic acid

Structural Information

Molecular Formula
C4H7NO2S
SMILES
C1CSC(N1)C(=O)O
InChI
InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)
InChIKey
ULSZVNJBVJWEJE-UHFFFAOYSA-N
Compound name
1,3-thiazolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

8695
Patents

133.01974 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02702 126.1
[M+Na]+ 156.00896 132.9
[M-H]- 132.01246 125.6
[M+NH4]+ 151.05356 147.2
[M+K]+ 171.98290 131.1
[M+H-H2O]+ 116.01700 121.0
[M+HCOO]- 178.01794 140.1
[M+CH3COO]- 192.03359 162.3
[M+Na-2H]- 153.99441 126.9
[M]+ 133.01919 122.6
[M]- 133.02029 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