CID 43811106

1156520-22-7

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

C1COCCN1C2=CN=C(C=C2)C#N

InChI

InChI=1S/C10H11N3O/c11-7-9-1-2-10(8-12-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2

InChIKey

IZIOVIKPDZOZPI-UHFFFAOYSA-N

Compound name

5-morpholin-4-ylpyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 189.09021 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.09749	136.6
[M+Na]+	212.07943	144.9
[M-H]-	188.08293	138.9
[M+NH4]+	207.12403	149.8
[M+K]+	228.05337	142.1
[M+H-H2O]+	172.08747	121.1
[M+HCOO]-	234.08841	151.2
[M+CH3COO]-	248.10406	147.1
[M+Na-2H]-	210.06488	143.4
[M]+	189.08966	128.3
[M]-	189.09076	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe