CID 12600299

76176-87-9

Structural Information

Molecular Formula
C4H9NOS
SMILES
C1CS(=O)CCN1
InChI
InChI=1S/C4H9NOS/c6-7-3-1-5-2-4-7/h5H,1-4H2
InChIKey
YHIIJNLSGULWAA-UHFFFAOYSA-N
Compound name
1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10533
Patents

119.04048 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 121.4
[M+Na]+ 142.02970 131.8
[M+NH4]+ 137.07430 130.6
[M+K]+ 158.00364 124.4
[M-H]- 118.03320 122.5
[M+Na-2H]- 140.01515 126.1
[M]+ 119.03993 123.4
[M]- 119.04103 123.4
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