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
3
Annotation Hits

0
References

33
Patents

202.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 149.7
[M+Na]+ 225.08860 158.1
[M-H]- 201.09210 154.1
[M+NH4]+ 220.13320 176.8
[M+K]+ 241.06254 155.0
[M+H-H2O]+ 185.09664 146.3
[M+HCOO]- 247.09758 171.4
[M+CH3COO]- 261.11323 186.2
[M+Na-2H]- 223.07405 150.4
[M]+ 202.09883 151.4
[M]- 202.09993 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe