CID 39850

Dicyclopentadienyl acrylate

Structural Information

Molecular Formula

C₁₃H₁₄O₂

SMILES

C=CC(=O)OC1C=CC2C1C3CC2C=C3

InChI

InChI=1S/C13H14O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2-6,8-11,13H,1,7H2

InChIKey

VEVJYJYFAXTUGJ-UHFFFAOYSA-N

Compound name

3-tricyclo[5.2.1.02,6]deca-4,8-dienyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 44
Patents: 202.09938 Da
Monoisotopic Mass: 2.5
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]+	203.106656	149.7
[M+Na]+	225.088598	158.1
[M-H]-	201.092104	154.1
[M+NH4]+	220.133203	176.8
[M+K]+	241.062538	155.0
[M+H-H2O]+	185.096640	146.3
[M+HCOO]-	247.097581	171.4
[M+CH3COO]-	261.113231	186.2
[M+Na-2H]-	223.074046	150.4
[M]+	202.09883142	151.4
[M]-	202.09992858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe