CID 10536097

2-hydroxy-7-methoxy-1-naphthaldehyde

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC1=CC2=C(C=C1)C=CC(=C2C=O)O

InChI

InChI=1S/C12H10O3/c1-15-9-4-2-8-3-5-12(14)11(7-13)10(8)6-9/h2-7,14H,1H3

InChIKey

WQGADZACBGKOHW-UHFFFAOYSA-N

Compound name

2-hydroxy-7-methoxynaphthalene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 202.06299 Da
Monoisotopic Mass: 2.8
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]+	203.070266	139.5
[M+Na]+	225.052208	149.6
[M-H]-	201.055714	143.6
[M+NH4]+	220.096813	159.6
[M+K]+	241.026148	146.4
[M+H-H2O]+	185.060250	133.8
[M+HCOO]-	247.061191	162.3
[M+CH3COO]-	261.076841	184.0
[M+Na-2H]-	223.037656	146.9
[M]+	202.06244142	142.2
[M]-	202.06353858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe