CID 3880149

15971-30-9

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

COC1=CC=C(C2=CC=CC=C21)C=CC(=O)O

InChI

InChI=1S/C14H12O3/c1-17-13-8-6-10(7-9-14(15)16)11-4-2-3-5-12(11)13/h2-9H,1H3,(H,15,16)

InChIKey

BDWSMCXLZKKQFV-UHFFFAOYSA-N

Compound name

3-(4-methoxynaphthalen-1-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 228.07864 Da
Monoisotopic Mass: 3.1
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]+	229.08592	148.4
[M+Na]+	251.06786	156.7
[M-H]-	227.07136	151.8
[M+NH4]+	246.11246	167.0
[M+K]+	267.04180	153.0
[M+H-H2O]+	211.07590	142.3
[M+HCOO]-	273.07684	169.8
[M+CH3COO]-	287.09249	188.2
[M+Na-2H]-	249.05331	154.2
[M]+	228.07809	150.0
[M]-	228.07919	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe