CID 21150942

51178-59-7

Structural Information

Molecular Formula
C14H16O2
SMILES
CC(=C)C(=O)OC1C=CC2C1C3CC2C=C3
InChI
InChI=1S/C14H16O2/c1-8(2)14(15)16-12-6-5-11-9-3-4-10(7-9)13(11)12/h3-6,9-13H,1,7H2,2H3
InChIKey
APJQZXPTPACCNB-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]deca-4,8-dienyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 155.4
[M+Na]+ 239.104258 163.0
[M-H]- 215.107764 159.7
[M+NH4]+ 234.148863 181.8
[M+K]+ 255.078198 160.1
[M+H-H2O]+ 199.112300 152.0
[M+HCOO]- 261.113241 175.7
[M+CH3COO]- 275.128891 190.0
[M+Na-2H]- 237.089706 154.4
[M]+ 216.11449142 156.8
[M]- 216.11558858 156.8
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