CID 17722

2781-11-5

Structural Information

Molecular Formula
C9H22NO5P
SMILES
CCOP(=O)(CN(CCO)CCO)OCC
InChI
InChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3
InChIKey
CCJKFLLIJCGHMO-UHFFFAOYSA-N
Compound name
2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1689
Patents

255.12357 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13085 161.5
[M+Na]+ 278.11279 165.8
[M-H]- 254.11629 158.6
[M+NH4]+ 273.15739 178.0
[M+K]+ 294.08673 166.4
[M+H-H2O]+ 238.12083 153.5
[M+HCOO]- 300.12177 187.7
[M+CH3COO]- 314.13742 195.9
[M+Na-2H]- 276.09824 163.0
[M]+ 255.12302 168.1
[M]- 255.12412 168.1
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