CID 20355559

67838-56-6

Structural Information

Molecular Formula
C4H9NO3S
SMILES
C1CS(=O)(=O)NC1CO
InChI
InChI=1S/C4H9NO3S/c6-3-4-1-2-9(7,8)5-4/h4-6H,1-3H2
InChIKey
GDMWWRUTCBSAFE-UHFFFAOYSA-N
Compound name
(1,1-dioxo-1,2-thiazolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

151.03032 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.037596 127.0
[M+Na]+ 174.019538 135.9
[M-H]- 150.023044 127.0
[M+NH4]+ 169.064143 149.8
[M+K]+ 189.993478 133.6
[M+H-H2O]+ 134.027580 123.2
[M+HCOO]- 196.028521 142.4
[M+CH3COO]- 210.044171 163.5
[M+Na-2H]- 172.004986 130.0
[M]+ 151.02977142 125.7
[M]- 151.03086858 125.7
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

patents stripe