CID 338722

78405-93-3

Structural Information

Molecular Formula
C6H14NO5PS
SMILES
CC(N1CCS(=O)(=O)CC1)P(=O)(O)O
InChI
InChI=1S/C6H14NO5PS/c1-6(13(8,9)10)7-2-4-14(11,12)5-3-7/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKey
MVPSEUQMCPAXQM-UHFFFAOYSA-N
Compound name
1-(1,1-dioxo-1,4-thiazinan-4-yl)ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03304 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04032 145.5
[M+Na]+ 266.02226 151.4
[M-H]- 242.02576 143.6
[M+NH4]+ 261.06686 162.8
[M+K]+ 281.99620 150.3
[M+H-H2O]+ 226.03030 138.9
[M+HCOO]- 288.03124 161.7
[M+CH3COO]- 302.04689 181.5
[M+Na-2H]- 264.00771 146.4
[M]+ 243.03249 145.0
[M]- 243.03359 145.0
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.