CID 12843040

3597-42-0

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

COC1=CC2=C(C=C1)C(=CC=C2)C=O

InChI

InChI=1S/C12H10O2/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h2-8H,1H3

InChIKey

RQSRLHYBIGCTIS-UHFFFAOYSA-N

Compound name

6-methoxynaphthalene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 186.06808 Da
Monoisotopic Mass: 2.6
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]+	187.075356	136.1
[M+Na]+	209.057298	145.8
[M-H]-	185.060804	141.2
[M+NH4]+	204.101903	157.4
[M+K]+	225.031238	142.9
[M+H-H2O]+	169.065340	130.2
[M+HCOO]-	231.066281	160.3
[M+CH3COO]-	245.081931	183.3
[M+Na-2H]-	207.042746	144.7
[M]+	186.06753142	138.8
[M]-	186.06862858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe