CID 90126

23497-20-3

Structural Information

Molecular Formula
C10H25NO6P2S
SMILES
CCOP(N)OCCOCCSP(=O)(OCC)OCC
InChI
InChI=1S/C10H25NO6P2S/c1-4-14-18(11)15-8-7-13-9-10-20-19(12,16-5-2)17-6-3/h4-11H2,1-3H3
InChIKey
KEMCHRRJMJYQPW-UHFFFAOYSA-N
Compound name
1-[amino(ethoxy)phosphanyl]oxy-2-(2-diethoxyphosphorylsulfanylethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.08777 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09505 178.2
[M+Na]+ 372.07699 180.9
[M-H]- 348.08049 174.6
[M+NH4]+ 367.12159 195.5
[M+K]+ 388.05093 181.2
[M+H-H2O]+ 332.08503 166.3
[M+HCOO]- 394.08597 208.7
[M+CH3COO]- 408.10162 213.8
[M+Na-2H]- 370.06244 174.5
[M]+ 349.08722 190.2
[M]- 349.08832 190.2
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.