CID 216852

Brn 1081892

Structural Information

Molecular Formula
C8H19N2O5PS
SMILES
CCN1CCCOP1(=O)NCCOS(=O)(=O)C
InChI
InChI=1S/C8H19N2O5PS/c1-3-10-6-4-7-14-16(10,11)9-5-8-15-17(2,12)13/h3-8H2,1-2H3,(H,9,11)
InChIKey
SOKCKTKWDABGHV-UHFFFAOYSA-N
Compound name
2-[(3-ethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.07523 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08251 156.7
[M+Na]+ 309.06445 162.0
[M-H]- 285.06795 157.6
[M+NH4]+ 304.10905 172.1
[M+K]+ 325.03839 162.4
[M+H-H2O]+ 269.07249 148.3
[M+HCOO]- 331.07343 176.4
[M+CH3COO]- 345.08908 196.8
[M+Na-2H]- 307.04990 160.0
[M]+ 286.07468 160.7
[M]- 286.07578 160.7
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

patents stripe