CID 453675

Etococh2-n-me-cephalin

Structural Information

Molecular Formula
C7H16NO6P
SMILES
CCOC(=O)COP(=O)(O)OCCNC
InChI
InChI=1S/C7H16NO6P/c1-3-12-7(9)6-14-15(10,11)13-5-4-8-2/h8H,3-6H2,1-2H3,(H,10,11)
InChIKey
AIBJKYKEESJEHJ-UHFFFAOYSA-N
Compound name
ethyl 2-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.07152 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07880 152.3
[M+Na]+ 264.06074 157.6
[M-H]- 240.06424 149.7
[M+NH4]+ 259.10534 169.2
[M+K]+ 280.03468 158.7
[M+H-H2O]+ 224.06878 144.5
[M+HCOO]- 286.06972 179.6
[M+CH3COO]- 300.08537 190.4
[M+Na-2H]- 262.04619 155.1
[M]+ 241.07097 158.8
[M]- 241.07207 158.8
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.