CID 24730310

924817-85-6

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

CC1=C(C(=CC=C1)C2=NC=C(C=C2)C=O)C

InChI

InChI=1S/C14H13NO/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-16)8-15-14/h3-9H,1-2H3

InChIKey

DUVJYKDWGONFFQ-UHFFFAOYSA-N

Compound name

6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.09972 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]+	212.106996	145.5
[M+Na]+	234.088938	155.3
[M-H]-	210.092444	151.6
[M+NH4]+	229.133543	163.4
[M+K]+	250.062878	151.2
[M+H-H2O]+	194.096980	137.8
[M+HCOO]-	256.097921	169.0
[M+CH3COO]-	270.113571	189.3
[M+Na-2H]-	232.074386	151.6
[M]+	211.09917142	147.0
[M]-	211.10026858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.