CID 210106

N-(morpholinomethyl)nicotinamide

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1COCCN1CNC(=O)C2=CN=CC=C2
InChI
InChI=1S/C11H15N3O2/c15-11(10-2-1-3-12-8-10)13-9-14-4-6-16-7-5-14/h1-3,8H,4-7,9H2,(H,13,15)
InChIKey
ONJOOOHFIDAJFM-UHFFFAOYSA-N
Compound name
N-(morpholin-4-ylmethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

221.11642 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.123696 149.6
[M+Na]+ 244.105638 153.6
[M-H]- 220.109144 153.0
[M+NH4]+ 239.150243 162.6
[M+K]+ 260.079578 152.5
[M+H-H2O]+ 204.113680 140.1
[M+HCOO]- 266.114621 167.7
[M+CH3COO]- 280.130271 187.8
[M+Na-2H]- 242.091086 156.3
[M]+ 221.11587142 145.6
[M]- 221.11696858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe