CID 55300147

2059999-55-0

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C1CNCS(=O)(=O)C1
InChI
InChI=1S/C4H9NO2S/c6-8(7)3-1-2-5-4-8/h5H,1-4H2
InChIKey
SRDQFXQNSSVQDM-UHFFFAOYSA-N
Compound name
1,3-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

135.0354 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 123.3
[M+Na]+ 158.024618 130.7
[M-H]- 134.028124 124.0
[M+NH4]+ 153.069223 145.2
[M+K]+ 173.998558 128.9
[M+H-H2O]+ 118.032660 118.6
[M+HCOO]- 180.033601 137.8
[M+CH3COO]- 194.049251 163.2
[M+Na-2H]- 156.010066 128.5
[M]+ 135.03485142 119.8
[M]- 135.03594858 119.8
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