CID 129982013

1824145-86-9

Structural Information

Molecular Formula
C5H11NO3S
SMILES
CN1C(CCS1(=O)=O)CO
InChI
InChI=1S/C5H11NO3S/c1-6-5(4-7)2-3-10(6,8)9/h5,7H,2-4H2,1H3
InChIKey
GPEFZKYJMOJXNN-UHFFFAOYSA-N
Compound name
(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04596 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 129.5
[M+Na]+ 188.03518 139.2
[M-H]- 164.03868 131.1
[M+NH4]+ 183.07978 152.7
[M+K]+ 204.00912 137.6
[M+H-H2O]+ 148.04322 125.6
[M+HCOO]- 210.04416 146.1
[M+CH3COO]- 224.05981 170.3
[M+Na-2H]- 186.02063 131.9
[M]+ 165.04541 130.8
[M]- 165.04651 130.8
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.