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]+ 251.13902 157.8
[M+Na]+ 273.12096 162.7
[M-H]- 249.12446 161.3
[M+NH4]+ 268.16556 170.3
[M+K]+ 289.09490 161.8
[M+H-H2O]+ 233.12900 148.4
[M+HCOO]- 295.12994 174.5
[M+CH3COO]- 309.14559 192.1
[M+Na-2H]- 271.10641 162.3
[M]+ 250.13119 157.1
[M]- 250.13229 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.