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 168.3
[M+Na]+ 371.05679 173.2
[M-H]- 347.06029 169.4
[M+NH4]+ 366.10139 182.2
[M+K]+ 387.03073 172.1
[M+H-H2O]+ 331.06483 161.0
[M+HCOO]- 393.06577 182.1
[M+CH3COO]- 407.08142 207.3
[M+Na-2H]- 369.04224 169.8
[M]+ 348.06702 174.4
[M]- 348.06812 174.4
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