CID 117923

27079-75-0

Structural Information

Molecular Formula

C₁₀H₁₀NO

SMILES

C[N+]1=CC=C(C=C1)C2=COC=C2

InChI

InChI=1S/C10H10NO/c1-11-5-2-9(3-6-11)10-4-7-12-8-10/h2-8H,1H3/q+1

InChIKey

WGYVKAVGJRWRAE-UHFFFAOYSA-N

Compound name

4-(furan-3-yl)-1-methylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.07623 Da
Monoisotopic Mass: 1.7
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]+	161.08351	129.2
[M+Na]+	183.06545	146.2
[M+NH4]+	178.11005	140.0
[M+K]+	199.03939	141.6
[M-H]-	159.06895	136.4
[M+Na-2H]-	181.05090	139.7
[M]+	160.07568	134.2
[M]-	160.07678	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.