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: 14
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]+	187.07536	137.0
[M+Na]+	209.05730	152.4
[M+NH4]+	204.10190	146.8
[M+K]+	225.03124	144.4
[M-H]-	185.06080	140.6
[M+Na-2H]-	207.04275	145.4
[M]+	186.06753	140.4
[M]-	186.06863	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe