CID 12003001

4,4-dimethyl-[1,2,3]oxathiazinane 2,2-dioxide

Structural Information

Molecular Formula
C5H11NO3S
SMILES
CC1(CCOS(=O)(=O)N1)C
InChI
InChI=1S/C5H11NO3S/c1-5(2)3-4-9-10(7,8)6-5/h6H,3-4H2,1-2H3
InChIKey
GYHRWNSWMFTXHT-UHFFFAOYSA-N
Compound name
4,4-dimethyloxathiazinane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

165.04596 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 127.0
[M+Na]+ 188.03518 135.7
[M-H]- 164.03868 128.9
[M+NH4]+ 183.07978 148.8
[M+K]+ 204.00912 135.5
[M+H-H2O]+ 148.04322 123.4
[M+HCOO]- 210.04416 140.7
[M+CH3COO]- 224.05981 169.2
[M+Na-2H]- 186.02063 133.9
[M]+ 165.04541 126.8
[M]- 165.04651 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe