CID 69289

Dicyclohexyl oxalate

Structural Information

Molecular Formula

C₁₄H₂₂O₄

SMILES

C1CCC(CC1)OC(=O)C(=O)OC2CCCCC2

InChI

InChI=1S/C14H22O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

YJZRTAHDRCUJQT-UHFFFAOYSA-N

Compound name

dicyclohexyl oxalate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 254.15181 Da
Monoisotopic Mass: 4.0
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]+	255.159086	160.5
[M+Na]+	277.141028	160.8
[M-H]-	253.144534	164.7
[M+NH4]+	272.185633	176.2
[M+K]+	293.114968	160.2
[M+H-H2O]+	237.149070	153.0
[M+HCOO]-	299.150011	175.3
[M+CH3COO]-	313.165661	190.6
[M+Na-2H]-	275.126476	160.1
[M]+	254.15126142	153.8
[M]-	254.15235858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe