CID 110972

7359-19-5

Structural Information

Molecular Formula

C₂₂H₃₀O₄

SMILES

C1C2CC(C1C=C2)COC(=O)CCCCC(=O)OCC3CC4CC3C=C4

InChI

InChI=1S/C22H30O4/c23-21(25-13-19-11-15-5-7-17(19)9-15)3-1-2-4-22(24)26-14-20-12-16-6-8-18(20)10-16/h5-8,15-20H,1-4,9-14H2

InChIKey

RJNJIAYRAOAFLX-UHFFFAOYSA-N

Compound name

bis(2-bicyclo[2.2.1]hept-5-enylmethyl) hexanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 358.21442 Da
Monoisotopic Mass: 3.9
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]+	359.221696	196.7
[M+Na]+	381.203638	199.5
[M-H]-	357.207144	201.6
[M+NH4]+	376.248243	218.8
[M+K]+	397.177578	196.5
[M+H-H2O]+	341.211680	193.0
[M+HCOO]-	403.212621	213.6
[M+CH3COO]-	417.228271	214.9
[M+Na-2H]-	379.189086	190.3
[M]+	358.21387142	200.9
[M]-	358.21496858	200.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe