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]+ 164.03760 126.9
[M+Na]+ 186.01954 136.2
[M-H]- 162.02304 129.6
[M+NH4]+ 181.06414 148.9
[M+K]+ 201.99348 135.0
[M+H-H2O]+ 146.02758 122.3
[M+HCOO]- 208.02852 143.0
[M+CH3COO]- 222.04417 172.3
[M+Na-2H]- 184.00499 131.1
[M]+ 163.02977 127.2
[M]- 163.03087 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.