CID 63165995

2402828-93-5

Structural Information

Molecular Formula
C5H11NO3S
SMILES
C1CS(=O)(=O)CC1(CO)N
InChI
InChI=1S/C5H11NO3S/c6-5(3-7)1-2-10(8,9)4-5/h7H,1-4,6H2
InChIKey
KAQLSJPXDFIUMA-UHFFFAOYSA-N
Compound name
(3-amino-1,1-dioxothiolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04596 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 128.9
[M+Na]+ 188.03518 137.6
[M-H]- 164.03868 131.0
[M+NH4]+ 183.07978 154.3
[M+K]+ 204.00912 135.5
[M+H-H2O]+ 148.04322 126.2
[M+HCOO]- 210.04416 146.9
[M+CH3COO]- 224.05981 170.5
[M+Na-2H]- 186.02063 133.3
[M]+ 165.04541 128.0
[M]- 165.04651 128.0
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.