CID 820991

Pyridinium, 4-[2-(4-formylphenyl)ethenyl]-1-methyl-

Structural Information

Molecular Formula

C₁₅H₁₄NO

SMILES

C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O

InChI

InChI=1S/C15H14NO/c1-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h2-12H,1H3/q+1

InChIKey

RYLOLRAYISQACV-UHFFFAOYSA-N

Compound name

4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 569
Patents: 224.10754 Da
Monoisotopic Mass: 2.7
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]+	225.114816	152.6
[M+Na]+	247.096758	161.2
[M-H]-	223.100264	158.4
[M+NH4]+	242.141363	169.3
[M+K]+	263.070698	150.8
[M+H-H2O]+	207.104800	147.3
[M+HCOO]-	269.105741	175.6
[M+CH3COO]-	283.121391	182.9
[M+Na-2H]-	245.082206	160.8
[M]+	224.10699142	152.0
[M]-	224.10808858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe