CID 13277484

85858-95-3

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

COC1=CC2=C(CCCC2C(=O)O)C=C1

InChI

InChI=1S/C12H14O3/c1-15-9-6-5-8-3-2-4-10(12(13)14)11(8)7-9/h5-7,10H,2-4H2,1H3,(H,13,14)

InChIKey

WJNRAOKRAWFGFS-UHFFFAOYSA-N

Compound name

7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 206.0943 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]+	207.10158	143.5
[M+Na]+	229.08352	155.6
[M+NH4]+	224.12812	152.1
[M+K]+	245.05746	149.6
[M-H]-	205.08702	145.3
[M+Na-2H]-	227.06897	148.5
[M]+	206.09375	145.6
[M]-	206.09485	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe