CID 11288106

23985-75-3

Structural Information

Molecular Formula

C₁₄H₁₆O₄

SMILES

COC(=O)C1CCC2=C(C1)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C14H16O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3,5,7,12H,4,6,8H2,1-2H3

InChIKey

IGFALCDVZUTCGJ-UHFFFAOYSA-N

Compound name

dimethyl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 107
Patents: 248.10486 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]+	249.112136	153.6
[M+Na]+	271.094078	160.0
[M-H]-	247.097584	157.7
[M+NH4]+	266.138683	171.9
[M+K]+	287.068018	158.6
[M+H-H2O]+	231.102120	147.3
[M+HCOO]-	293.103061	172.8
[M+CH3COO]-	307.118711	193.8
[M+Na-2H]-	269.079526	156.8
[M]+	248.10431142	155.0
[M]-	248.10540858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe