CID 7010328

3,8-dimethoxy-2-naphthaldehyde

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

COC1=CC=CC2=CC(=C(C=C21)C=O)OC

InChI

InChI=1S/C13H12O3/c1-15-12-5-3-4-9-7-13(16-2)10(8-14)6-11(9)12/h3-8H,1-2H3

InChIKey

YBCQBSORAFCHGW-UHFFFAOYSA-N

Compound name

3,8-dimethoxynaphthalene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 216.07864 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]+	217.085916	143.7
[M+Na]+	239.067858	153.7
[M-H]-	215.071364	149.0
[M+NH4]+	234.112463	163.9
[M+K]+	255.041798	151.3
[M+H-H2O]+	199.075900	137.5
[M+HCOO]-	261.076841	167.7
[M+CH3COO]-	275.092491	189.5
[M+Na-2H]-	237.053306	151.0
[M]+	216.07809142	148.6
[M]-	216.07918858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe