CID 101155

7495-85-4

Structural Information

Molecular Formula

C₁₄H₁₈O₄

SMILES

C=CCOC(=O)C1CC=CCC1C(=O)OCC=C

InChI

InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-6,11-12H,1-2,7-10H2

InChIKey

JJSLFARHVQTZQN-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl) cyclohex-4-ene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 250.12051 Da
Monoisotopic Mass: 2.4
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]+	251.12779	157.0
[M+Na]+	273.10973	161.8
[M-H]-	249.11323	159.5
[M+NH4]+	268.15433	173.8
[M+K]+	289.08367	159.8
[M+H-H2O]+	233.11777	150.6
[M+HCOO]-	295.11871	176.7
[M+CH3COO]-	309.13436	193.3
[M+Na-2H]-	271.09518	157.6
[M]+	250.11996	157.8
[M]-	250.12106	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe