CID 69810535

Cyclol acrylate

Structural Information

Molecular Formula
C11H14O2
SMILES
C=CC(=O)OC[C@@H]1C[C@H]2C[C@@H]1C=C2
InChI
InChI=1S/C11H14O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2/t8-,9+,10+/m1/s1
InChIKey
IEOVKCGOIXZDRK-UTLUCORTSA-N
Compound name
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

166
Patents

178.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 140.6
[M+Na]+ 201.08860 149.3
[M+NH4]+ 196.13320 149.3
[M+K]+ 217.06254 146.9
[M-H]- 177.09210 140.3
[M+Na-2H]- 199.07405 141.9
[M]+ 178.09883 141.4
[M]- 178.09993 141.4
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