CID 141839

4-methyl-1-naphthaldehyde

Structural Information

Molecular Formula

C₁₂H₁₀O

SMILES

CC1=CC=C(C2=CC=CC=C12)C=O

InChI

InChI=1S/C12H10O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8H,1H3

InChIKey

LANRGTXVAPBSIA-UHFFFAOYSA-N

Compound name

4-methylnaphthalene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 169
Patents: 170.07317 Da
Monoisotopic Mass: 3.0
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]+	171.08045	133.7
[M+Na]+	193.06239	149.6
[M+NH4]+	188.10699	144.1
[M+K]+	209.03633	141.0
[M-H]-	169.06589	137.7
[M+Na-2H]-	191.04784	142.5
[M]+	170.07262	137.3
[M]-	170.07372	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe