CID 216849

Brn 1085320

Structural Information

Molecular Formula
C10H22ClN2O5PS
SMILES
CC1(CN(P(=O)(OC1)NCCOS(=O)(=O)C)CCCl)C
InChI
InChI=1S/C10H22ClN2O5PS/c1-10(2)8-13(6-4-11)19(14,17-9-10)12-5-7-18-20(3,15)16/h4-9H2,1-3H3,(H,12,14)
InChIKey
GJYZTIXTZDOCOX-UHFFFAOYSA-N
Compound name
2-[[3-(2-chloroethyl)-5,5-dimethyl-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

348.06757 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07485 164.1
[M+Na]+ 371.05679 170.9
[M-H]- 347.06029 165.7
[M+NH4]+ 366.10139 180.3
[M+K]+ 387.03073 169.8
[M+H-H2O]+ 331.06483 158.2
[M+HCOO]- 393.06577 178.9
[M+CH3COO]- 407.08142 207.4
[M+Na-2H]- 369.04224 168.2
[M]+ 348.06702 171.6
[M]- 348.06812 171.6
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.