CID 13430563

2,3-dimethoxy-1-naphthaldehyde

Structural Information

Molecular Formula
C13H12O3
SMILES
COC1=CC2=CC=CC=C2C(=C1OC)C=O
InChI
InChI=1S/C13H12O3/c1-15-12-7-9-5-3-4-6-10(9)11(8-14)13(12)16-2/h3-8H,1-2H3
InChIKey
VTUMHIXLEZHVEJ-UHFFFAOYSA-N
Compound name
2,3-dimethoxynaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

216.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 143.7
[M+Na]+ 239.06786 153.7
[M-H]- 215.07136 149.0
[M+NH4]+ 234.11246 163.9
[M+K]+ 255.04180 151.3
[M+H-H2O]+ 199.07590 137.5
[M+HCOO]- 261.07684 167.7
[M+CH3COO]- 275.09249 189.5
[M+Na-2H]- 237.05331 151.0
[M]+ 216.07809 148.6
[M]- 216.07919 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe