CID 3076744

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

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCC1=C(C=CC(=N1)C)OCC(=O)OCCN(C)C
InChI
InChI=1S/C14H22N2O3/c1-5-12-13(7-6-11(2)15-12)19-10-14(17)18-9-8-16(3)4/h6-7H,5,8-10H2,1-4H3
InChIKey
SJWQNURDTNLUKL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-ethyl-6-methylpyridin-3-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.1
[M+Na]+ 289.15228 169.4
[M-H]- 265.15578 166.5
[M+NH4]+ 284.19688 179.0
[M+K]+ 305.12622 169.0
[M+H-H2O]+ 249.16032 155.0
[M+HCOO]- 311.16126 186.1
[M+CH3COO]- 325.17691 205.1
[M+Na-2H]- 287.13773 165.7
[M]+ 266.16251 169.5
[M]- 266.16361 169.5
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.