CID 4521351

125630-26-4

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CN1CCC(C1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C11H14N2O/c1-13-6-4-10(8-13)11(14)9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3

InChIKey

ARYQLVJXQFGHLA-UHFFFAOYSA-N

Compound name

(1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 190.11061 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]+	191.117886	142.1
[M+Na]+	213.099828	148.8
[M-H]-	189.103334	145.8
[M+NH4]+	208.144433	160.4
[M+K]+	229.073768	146.5
[M+H-H2O]+	173.107870	134.0
[M+HCOO]-	235.108811	162.2
[M+CH3COO]-	249.124461	182.1
[M+Na-2H]-	211.085276	145.2
[M]+	190.11006142	139.6
[M]-	190.11115858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe