CID 146446473

1928766-36-2

Structural Information

Molecular Formula

C₁₉H₁₉NO₆

SMILES

COC(=O)C12CCC(CC1)(CC2)C(=O)ON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H19NO6/c1-25-16(23)18-6-9-19(10-7-18,11-8-18)17(24)26-20-14(21)12-4-2-3-5-13(12)15(20)22/h2-5H,6-11H2,1H3

InChIKey

RDWABNMBEQIXDM-UHFFFAOYSA-N

Compound name

4-O-(1,3-dioxoisoindol-2-yl) 1-O-methyl bicyclo[2.2.2]octane-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 357.12125 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]+	358.128526	177.0
[M+Na]+	380.110468	181.4
[M-H]-	356.113974	175.8
[M+NH4]+	375.155073	198.3
[M+K]+	396.084408	178.6
[M+H-H2O]+	340.118510	169.6
[M+HCOO]-	402.119451	183.9
[M+CH3COO]-	416.135101	185.0
[M+Na-2H]-	378.095916	183.9
[M]+	357.12070142	181.3
[M]-	357.12179858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe