CID 12018648

105207-30-5

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

COC(=O)C1CCCC2=C1C=CC(=C2)O

InChI

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

InChIKey

UFVAZTACFIYTDQ-UHFFFAOYSA-N

Compound name

methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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]+	207.101576	143.2
[M+Na]+	229.083518	150.0
[M-H]-	205.087024	146.2
[M+NH4]+	224.128123	162.6
[M+K]+	245.057458	147.7
[M+H-H2O]+	189.091560	137.5
[M+HCOO]-	251.092501	162.1
[M+CH3COO]-	265.108151	183.7
[M+Na-2H]-	227.068966	148.1
[M]+	206.09375142	141.9
[M]-	206.09484858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe