CID 11356212

2471-69-4

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

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

InChI

InChI=1S/C12H14O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h4-5,7,10H,2-3,6H2,1H3,(H,13,14)

InChIKey

DSVHLKAPYHAYFF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 85
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]+	207.101576	143.0
[M+Na]+	229.083518	149.7
[M-H]-	205.087024	145.9
[M+NH4]+	224.128123	162.3
[M+K]+	245.057458	147.4
[M+H-H2O]+	189.091560	137.2
[M+HCOO]-	251.092501	161.8
[M+CH3COO]-	265.108151	184.3
[M+Na-2H]-	227.068966	147.9
[M]+	206.09375142	141.8
[M]-	206.09484858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe