CID 3076746

Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(diethylamino)ethyl ester, ethanedioate (1:2)

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCC1=C(C=CC(=N1)C)OCC(=O)OCCN(CC)CC
InChI
InChI=1S/C16H26N2O3/c1-5-14-15(9-8-13(4)17-14)21-12-16(19)20-11-10-18(6-2)7-3/h8-9H,5-7,10-12H2,1-4H3
InChIKey
BVHOJYPZFSIBLD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(2-ethyl-6-methylpyridin-3-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 171.8
[M+Na]+ 317.18356 182.0
[M+NH4]+ 312.22816 177.5
[M+K]+ 333.15750 176.1
[M-H]- 293.18706 172.7
[M+Na-2H]- 315.16901 175.9
[M]+ 294.19379 173.2
[M]- 294.19489 173.2
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.