CID 3624709

32178-63-5

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

COC1=CC=CC2=C1CC(CC2)C(=O)O

InChI

InChI=1S/C12H14O3/c1-15-11-4-2-3-8-5-6-9(12(13)14)7-10(8)11/h2-4,9H,5-7H2,1H3,(H,13,14)

InChIKey

VOAFGTBETRJDPU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 44
Patents: 206.0943 Da
Monoisotopic Mass: 2.1
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]+	207.10158	143.0
[M+Na]+	229.08352	149.7
[M-H]-	205.08702	145.9
[M+NH4]+	224.12812	162.3
[M+K]+	245.05746	147.4
[M+H-H2O]+	189.09156	137.2
[M+HCOO]-	251.09250	161.8
[M+CH3COO]-	265.10815	184.3
[M+Na-2H]-	227.06897	147.9
[M]+	206.09375	141.8
[M]-	206.09485	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe