CID 155973465

4-nitroso-1lambda6-thiomorpholine-1,1-dione

Structural Information

Molecular Formula
C4H8N2O3S
SMILES
C1CS(=O)(=O)CCN1N=O
InChI
InChI=1S/C4H8N2O3S/c7-5-6-1-3-10(8,9)4-2-6/h1-4H2
InChIKey
BFISQPALYIVBKK-UHFFFAOYSA-N
Compound name
4-nitroso-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.02556 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03284 126.6
[M+Na]+ 187.01478 135.0
[M-H]- 163.01828 130.4
[M+NH4]+ 182.05938 148.5
[M+K]+ 202.98872 134.7
[M+H-H2O]+ 147.02282 121.1
[M+HCOO]- 209.02376 145.5
[M+CH3COO]- 223.03941 175.6
[M+Na-2H]- 185.00023 132.9
[M]+ 164.02501 127.2
[M]- 164.02611 127.2
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

No patent data available for this compound.