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
7
Annotation Hits

0
References

169
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 142.2
[M+Na]+ 201.08860 149.5
[M-H]- 177.09210 145.0
[M+NH4]+ 196.13320 167.4
[M+K]+ 217.06254 147.3
[M+H-H2O]+ 161.09664 137.9
[M+HCOO]- 223.09758 164.1
[M+CH3COO]- 237.11323 180.8
[M+Na-2H]- 199.07405 144.6
[M]+ 178.09883 143.2
[M]- 178.09993 143.2
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