CID 205795

18617-51-1

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCN(CC)CCOC1=NC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C14H22N2O3/c1-4-16(5-2)9-10-19-13-8-7-12(11-15-13)14(17)18-6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKey
MCRNVQMZPKKJNG-UHFFFAOYSA-N
Compound name
ethyl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 163.6
[M+Na]+ 289.152278 168.9
[M-H]- 265.155784 166.6
[M+NH4]+ 284.196883 179.1
[M+K]+ 305.126218 168.5
[M+H-H2O]+ 249.160320 155.2
[M+HCOO]- 311.161261 186.6
[M+CH3COO]- 325.176911 203.8
[M+Na-2H]- 287.137726 166.8
[M]+ 266.16251142 169.6
[M]- 266.16360858 169.6
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

patents stripe