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

23
Patents

151.03032 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03760 127.0
[M+Na]+ 174.01954 135.9
[M-H]- 150.02304 127.0
[M+NH4]+ 169.06414 149.8
[M+K]+ 189.99348 133.6
[M+H-H2O]+ 134.02758 123.2
[M+HCOO]- 196.02852 142.4
[M+CH3COO]- 210.04417 163.5
[M+Na-2H]- 172.00499 130.0
[M]+ 151.02977 125.7
[M]- 151.03087 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