CID 14953860

1797554-25-6

Structural Information

Molecular Formula
C5H11NO2S
SMILES
CC1CNCCS1(=O)=O
InChI
InChI=1S/C5H11NO2S/c1-5-4-6-2-3-9(5,7)8/h5-6H,2-4H2,1H3
InChIKey
SXESUMISQDGBIE-UHFFFAOYSA-N
Compound name
2-methyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

149.05106 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05834 126.7
[M+Na]+ 172.04028 134.6
[M-H]- 148.04378 127.7
[M+NH4]+ 167.08488 148.4
[M+K]+ 188.01422 132.5
[M+H-H2O]+ 132.04832 122.2
[M+HCOO]- 194.04926 140.9
[M+CH3COO]- 208.06491 167.3
[M+Na-2H]- 170.02573 130.9
[M]+ 149.05051 124.0
[M]- 149.05161 124.0
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

patents stripe