CID 165797931

2-methyl-1lambda6,2-thiazinane-1,1,4-trione

Structural Information

Molecular Formula
C5H9NO3S
SMILES
CN1CC(=O)CCS1(=O)=O
InChI
InChI=1S/C5H9NO3S/c1-6-4-5(7)2-3-10(6,8)9/h2-4H2,1H3
InChIKey
OAIIKUDLSNTMBP-UHFFFAOYSA-N
Compound name
2-methyl-1,1-dioxothiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03032 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.037596 126.9
[M+Na]+ 186.019538 136.2
[M-H]- 162.023044 129.6
[M+NH4]+ 181.064143 148.9
[M+K]+ 201.993478 135.0
[M+H-H2O]+ 146.027580 122.3
[M+HCOO]- 208.028521 143.0
[M+CH3COO]- 222.044171 172.3
[M+Na-2H]- 184.004986 131.1
[M]+ 163.02977142 127.2
[M]- 163.03086858 127.2
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.