CID 119031688

N-(1-oxo-1lambda6-thiomorpholin-1-ylidene)methanesulfonamide

Structural Information

Molecular Formula
C5H12N2O3S2
SMILES
CS(=O)(=O)N=S1(=O)CCNCC1
InChI
InChI=1S/C5H12N2O3S2/c1-11(8,9)7-12(10)4-2-6-3-5-12/h6H,2-5H2,1H3
InChIKey
PKBUJNOUVXQQOH-UHFFFAOYSA-N
Compound name
N-(1-oxo-1,4-thiazinan-1-ylidene)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02893 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03621 141.0
[M+Na]+ 235.01815 147.9
[M-H]- 211.02165 142.2
[M+NH4]+ 230.06275 160.0
[M+K]+ 250.99209 144.5
[M+H-H2O]+ 195.02619 136.0
[M+HCOO]- 257.02713 150.9
[M+CH3COO]- 271.04278 178.7
[M+Na-2H]- 233.00360 145.9
[M]+ 212.02838 139.2
[M]- 212.02948 139.2
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.