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

102
Patents

149.05106 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.058336 126.7
[M+Na]+ 172.040278 134.6
[M-H]- 148.043784 127.7
[M+NH4]+ 167.084883 148.4
[M+K]+ 188.014218 132.5
[M+H-H2O]+ 132.048320 122.2
[M+HCOO]- 194.049261 140.9
[M+CH3COO]- 208.064911 167.3
[M+Na-2H]- 170.025726 130.9
[M]+ 149.05051142 124.0
[M]- 149.05160858 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