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 172.4
[M+Na]+ 317.18356 177.8
[M-H]- 293.18706 175.4
[M+NH4]+ 312.22816 187.1
[M+K]+ 333.15750 177.0
[M+H-H2O]+ 277.19160 163.9
[M+HCOO]- 339.19254 194.7
[M+CH3COO]- 353.20819 211.0
[M+Na-2H]- 315.16901 173.9
[M]+ 294.19379 179.5
[M]- 294.19489 179.5
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.