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

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

No literature data available for this compound.

Patent stripe

patents stripe