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

45
Patents

135.0354 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 123.3
[M+Na]+ 158.02462 130.7
[M-H]- 134.02812 124.0
[M+NH4]+ 153.06922 145.2
[M+K]+ 173.99856 128.9
[M+H-H2O]+ 118.03266 118.6
[M+HCOO]- 180.03360 137.8
[M+CH3COO]- 194.04925 163.2
[M+Na-2H]- 156.01007 128.5
[M]+ 135.03485 119.8
[M]- 135.03595 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