CID 495758

1146957-01-8

Structural Information

Molecular Formula
C4H7NO4S
SMILES
C1CS(=O)(=O)NC1C(=O)O
InChI
InChI=1S/C4H7NO4S/c6-4(7)3-1-2-10(8,9)5-3/h3,5H,1-2H2,(H,6,7)
InChIKey
CKMPIUWDWKULKJ-UHFFFAOYSA-N
Compound name
1,1-dioxo-1,2-thiazolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

76
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 129.4
[M+Na]+ 187.99880 138.0
[M-H]- 164.00230 129.4
[M+NH4]+ 183.04340 151.3
[M+K]+ 203.97274 136.1
[M+H-H2O]+ 148.00684 125.6
[M+HCOO]- 210.00778 144.1
[M+CH3COO]- 224.02343 165.7
[M+Na-2H]- 185.98425 131.5
[M]+ 165.00903 128.2
[M]- 165.01013 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe