CID 216851

Brn 1084747

Structural Information

Molecular Formula
C9H20ClN2O5PS
SMILES
CC1CCN(P(=O)(O1)NCCOS(=O)(=O)C)CCCl
InChI
InChI=1S/C9H20ClN2O5PS/c1-9-3-6-12(7-4-10)18(13,17-9)11-5-8-16-19(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKey
MLYQQPRMCHCDNL-UHFFFAOYSA-N
Compound name
2-[[3-(2-chloroethyl)-6-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0519 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05918 163.8
[M+Na]+ 357.04112 170.2
[M-H]- 333.04462 165.3
[M+NH4]+ 352.08572 178.6
[M+K]+ 373.01506 168.8
[M+H-H2O]+ 317.04916 156.7
[M+HCOO]- 379.05010 178.8
[M+CH3COO]- 393.06575 204.8
[M+Na-2H]- 355.02657 166.1
[M]+ 334.05135 170.4
[M]- 334.05245 170.4
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.