CID 13667130

5665-20-3

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

COC1=CC2=C(C=CC(=C2)CO)C=C1

InChI

InChI=1S/C12H12O2/c1-14-12-5-4-10-3-2-9(8-13)6-11(10)7-12/h2-7,13H,8H2,1H3

InChIKey

TXZRHHVGMGJQJK-UHFFFAOYSA-N

Compound name

(7-methoxynaphthalen-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 188.08372 Da
Monoisotopic Mass: 2.3
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]+	189.09100	138.0
[M+Na]+	211.07294	147.0
[M-H]-	187.07644	141.7
[M+NH4]+	206.11754	158.5
[M+K]+	227.04688	143.8
[M+H-H2O]+	171.08098	132.3
[M+HCOO]-	233.08192	160.5
[M+CH3COO]-	247.09757	181.5
[M+Na-2H]-	209.05839	146.1
[M]+	188.08317	139.6
[M]-	188.08427	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe