CID 38647

Brn 1085319

Structural Information

Molecular Formula
C10H22ClN2O5PS
SMILES
CCC(COS(=O)(=O)C)NP1(=O)N(CCCO1)CCCl
InChI
InChI=1S/C10H22ClN2O5PS/c1-3-10(9-18-20(2,15)16)12-19(14)13(7-5-11)6-4-8-17-19/h10H,3-9H2,1-2H3,(H,12,14)
InChIKey
HMGJHQGDFPHSAR-UHFFFAOYSA-N
Compound name
2-[[3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]butyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.06757 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07485 172.5
[M+Na]+ 371.05679 178.9
[M+NH4]+ 366.10139 178.0
[M+K]+ 387.03073 172.7
[M-H]- 347.06029 171.3
[M+Na-2H]- 369.04224 174.3
[M]+ 348.06702 173.4
[M]- 348.06812 173.4
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

patents stripe