CID 3037072

Hexahydro-4,7-methano-1h-indenyl acrylate

Structural Information

Molecular Formula
C13H16O2
SMILES
C=CC(=O)OC1C=CC2C1C3CCC2C3
InChI
InChI=1S/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,5-6,8-11,13H,1,3-4,7H2
InChIKey
ISRJTGUYHVPAOR-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3079
Patents

204.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 151.5
[M+Na]+ 227.10426 158.8
[M-H]- 203.10776 155.4
[M+NH4]+ 222.14886 178.3
[M+K]+ 243.07820 155.8
[M+H-H2O]+ 187.11230 148.1
[M+HCOO]- 249.11324 171.7
[M+CH3COO]- 263.12889 186.6
[M+Na-2H]- 225.08971 151.2
[M]+ 204.11449 151.7
[M]- 204.11559 151.7
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