CID 82503526

2408975-32-4

Structural Information

Molecular Formula
C6H11NO3S
SMILES
CC1=C(S(=O)(=O)CCO1)CN
InChI
InChI=1S/C6H11NO3S/c1-5-6(4-7)11(8,9)3-2-10-5/h2-4,7H2,1H3
InChIKey
HITVRGJYPWUIHI-UHFFFAOYSA-N
Compound name
(6-methyl-4,4-dioxo-2,3-dihydro-1,4-oxathiin-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04596 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05324 131.1
[M+Na]+ 200.03518 139.9
[M-H]- 176.03868 135.4
[M+NH4]+ 195.07978 152.1
[M+K]+ 216.00912 139.1
[M+H-H2O]+ 160.04322 126.6
[M+HCOO]- 222.04416 148.9
[M+CH3COO]- 236.05981 177.4
[M+Na-2H]- 198.02063 136.2
[M]+ 177.04541 132.1
[M]- 177.04651 132.1
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.