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]+ 178.053236 131.1
[M+Na]+ 200.035178 139.9
[M-H]- 176.038684 135.4
[M+NH4]+ 195.079783 152.1
[M+K]+ 216.009118 139.1
[M+H-H2O]+ 160.043220 126.6
[M+HCOO]- 222.044161 148.9
[M+CH3COO]- 236.059811 177.4
[M+Na-2H]- 198.020626 136.2
[M]+ 177.04541142 132.1
[M]- 177.04650858 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.