CID 63166517

40057-27-0

Structural Information

Molecular Formula
C5H9NO4S
SMILES
C1CS(=O)(=O)CC1(C(=O)O)N
InChI
InChI=1S/C5H9NO4S/c6-5(4(7)8)1-2-11(9,10)3-5/h1-3,6H2,(H,7,8)
InChIKey
XEUBUJIFAOGRJM-UHFFFAOYSA-N
Compound name
3-amino-1,1-dioxothiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03250 135.0
[M+Na]+ 202.01444 141.3
[M+NH4]+ 197.05904 144.1
[M+K]+ 217.98838 135.3
[M-H]- 178.01794 133.6
[M+Na-2H]- 199.99989 139.5
[M]+ 179.02467 135.7
[M]- 179.02577 135.7
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

No patent data available for this compound.