CID 68116

Nicopholine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1COCCN1C(=O)C2=CN=CC=C2

InChI

InChI=1S/C10H12N2O2/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12/h1-3,8H,4-7H2

InChIKey

QLPQPTXSAXQCMR-UHFFFAOYSA-N

Compound name

morpholin-4-yl(pyridin-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 192.08987 Da
Monoisotopic Mass: -0.1
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]+	193.09715	141.9
[M+Na]+	215.07909	154.6
[M+NH4]+	210.12369	149.7
[M+K]+	231.05303	148.9
[M-H]-	191.08259	145.7
[M+Na-2H]-	213.06454	149.1
[M]+	192.08932	144.6
[M]-	192.09042	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe