CID 91647651

1803607-69-3

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCOC(=O)C1=NC=C(C=C1)CN2CCOCC2
InChI
InChI=1S/C13H18N2O3/c1-2-18-13(16)12-4-3-11(9-14-12)10-15-5-7-17-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKey
XMZYIBSTANPTFA-UHFFFAOYSA-N
Compound name
ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 157.8
[M+Na]+ 273.120958 162.7
[M-H]- 249.124464 161.3
[M+NH4]+ 268.165563 170.3
[M+K]+ 289.094898 161.8
[M+H-H2O]+ 233.129000 148.4
[M+HCOO]- 295.129941 174.5
[M+CH3COO]- 309.145591 192.1
[M+Na-2H]- 271.106406 162.3
[M]+ 250.13119142 157.1
[M]- 250.13228858 157.1
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.