CID 15690970

56894-94-1

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

COC1=CC=CC2=C1C=CC(=C2)C=O

InChI

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

InChIKey

GRSJJQKJOXOGJA-UHFFFAOYSA-N

Compound name

5-methoxynaphthalene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 186.06808 Da
Monoisotopic Mass: 3.1
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