CID 381193

147878-93-1

Structural Information

Molecular Formula
C4H7NO4S
SMILES
C1CS(=O)(=O)N[C@@H]1C(=O)O
InChI
InChI=1S/C4H7NO4S/c6-4(7)3-1-2-10(8,9)5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKey
CKMPIUWDWKULKJ-VKHMYHEASA-N
Compound name
(3S)-1,1-dioxo-1,2-thiazolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

165.00958 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.01686 132.9
[M+Na]+ 187.99880 140.2
[M+NH4]+ 183.04340 140.2
[M+K]+ 203.97274 135.8
[M-H]- 164.00230 130.2
[M+Na-2H]- 185.98425 135.3
[M]+ 165.00903 133.2
[M]- 165.01013 133.2
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