CID 24729662

875777-37-0

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

CC1=CC=CC=C1C2=NC=C(C=C2)C=O

InChI

InChI=1S/C13H11NO/c1-10-4-2-3-5-12(10)13-7-6-11(9-15)8-14-13/h2-9H,1H3

InChIKey

QYPKBUJGIFRGJK-UHFFFAOYSA-N

Compound name

6-(2-methylphenyl)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 197.08406 Da
Monoisotopic Mass: 2.3
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]+	198.09134	141.2
[M+Na]+	220.07328	150.5
[M-H]-	196.07678	147.1
[M+NH4]+	215.11788	159.3
[M+K]+	236.04722	146.6
[M+H-H2O]+	180.08132	133.6
[M+HCOO]-	242.08226	165.1
[M+CH3COO]-	256.09791	185.1
[M+Na-2H]-	218.05873	148.6
[M]+	197.08351	142.0
[M]-	197.08461	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe