CID 6484228

Thiomorpholine 1,1-dioxide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C1CS(=O)(=O)CCN1
InChI
InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2
InChIKey
NDOVLWQBFFJETK-UHFFFAOYSA-N
Compound name
1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

40775
Patents

135.0354 Da
Monoisotopic Mass

-1.1
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

literature stripe

Patent stripe

patents stripe