CID 218514

Brn 1085318

Structural Information

Molecular Formula
C10H22ClN2O5PS
SMILES
CCN(CCOS(=O)(=O)C)P1(=O)N(CCCO1)CCCl
InChI
InChI=1S/C10H22ClN2O5PS/c1-3-12(8-10-18-20(2,15)16)19(14)13(7-5-11)6-4-9-17-19/h3-10H2,1-2H3
InChIKey
LRYUAPNWHCENRR-UHFFFAOYSA-N
Compound name
2-[[3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]-ethylamino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.06757 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07485 167.7
[M+Na]+ 371.05679 173.1
[M-H]- 347.06029 170.2
[M+NH4]+ 366.10139 182.3
[M+K]+ 387.03073 172.8
[M+H-H2O]+ 331.06483 160.1
[M+HCOO]- 393.06577 183.0
[M+CH3COO]- 407.08142 209.7
[M+Na-2H]- 369.04224 169.7
[M]+ 348.06702 175.6
[M]- 348.06812 175.6
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.