CID 85824524

Ethyl (2,2-diethoxyethyl)(methyl)phosphinate

Structural Information

Molecular Formula
C9H21O4P
SMILES
CCOC(CP(=O)(C)OCC)OCC
InChI
InChI=1S/C9H21O4P/c1-5-11-9(12-6-2)8-14(4,10)13-7-3/h9H,5-8H2,1-4H3
InChIKey
QTPSWGMNNOBRAR-UHFFFAOYSA-N
Compound name
1,1-diethoxy-2-[ethoxy(methyl)phosphoryl]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

224.11775 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12503 155.1
[M+Na]+ 247.10697 161.1
[M-H]- 223.11047 153.9
[M+NH4]+ 242.15157 174.2
[M+K]+ 263.08091 162.0
[M+H-H2O]+ 207.11501 147.9
[M+HCOO]- 269.11595 181.7
[M+CH3COO]- 283.13160 191.5
[M+Na-2H]- 245.09242 156.7
[M]+ 224.11720 163.3
[M]- 224.11830 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe