CID 3041326

Brn 1043506

Structural Information

Molecular Formula
C10H23N2O8PS2
SMILES
CS(=O)(=O)OCCCNP1(=O)N(CCCO1)CCOS(=O)(=O)C
InChI
InChI=1S/C10H23N2O8PS2/c1-22(14,15)19-9-3-5-11-21(13)12(6-4-8-18-21)7-10-20-23(2,16)17/h3-10H2,1-2H3,(H,11,13)
InChIKey
NUUQROBAZPZDIK-UHFFFAOYSA-N
Compound name
3-[[3-(2-methylsulfonyloxyethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.06335 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07063 175.5
[M+Na]+ 417.05257 178.7
[M-H]- 393.05607 175.1
[M+NH4]+ 412.09717 185.8
[M+K]+ 433.02651 178.2
[M+H-H2O]+ 377.06061 166.9
[M+HCOO]- 439.06155 188.9
[M+CH3COO]- 453.07720 212.7
[M+Na-2H]- 415.03802 180.4
[M]+ 394.06280 182.4
[M]- 394.06390 182.4
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.