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
3
Annotation Hits

0
References

3436
Patents

204.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 151.5
[M+Na]+ 227.104258 158.8
[M-H]- 203.107764 155.4
[M+NH4]+ 222.148863 178.3
[M+K]+ 243.078198 155.8
[M+H-H2O]+ 187.112300 148.1
[M+HCOO]- 249.113241 171.7
[M+CH3COO]- 263.128891 186.6
[M+Na-2H]- 225.089706 151.2
[M]+ 204.11449142 151.7
[M]- 204.11558858 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