CID 12699834

8-ethylquinoline-2-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

CCC1=CC=CC2=C1N=C(C=C2)C=O

InChI

InChI=1S/C12H11NO/c1-2-9-4-3-5-10-6-7-11(8-14)13-12(9)10/h3-8H,2H2,1H3

InChIKey

PINCBNHEGPSKFB-UHFFFAOYSA-N

Compound name

8-ethylquinoline-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 185.08406 Da
Monoisotopic Mass: 2.8
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]+	186.09134	138.7
[M+Na]+	208.07328	154.3
[M+NH4]+	203.11788	148.2
[M+K]+	224.04722	145.9
[M-H]-	184.07678	141.8
[M+Na-2H]-	206.05873	146.9
[M]+	185.08351	141.9
[M]-	185.08461	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe