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]+ 165.032836 126.6
[M+Na]+ 187.014778 135.0
[M-H]- 163.018284 130.4
[M+NH4]+ 182.059383 148.5
[M+K]+ 202.988718 134.7
[M+H-H2O]+ 147.022820 121.1
[M+HCOO]- 209.023761 145.5
[M+CH3COO]- 223.039411 175.6
[M+Na-2H]- 185.000226 132.9
[M]+ 164.02501142 127.2
[M]- 164.02610858 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.