CID 106865

Ethyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate

Structural Information

Molecular Formula
C11H16O2
SMILES
CCOC(=O)C1C(C2CC1C=C2)C
InChI
InChI=1S/C11H16O2/c1-3-13-11(12)10-7(2)8-4-5-9(10)6-8/h4-5,7-10H,3,6H2,1-2H3
InChIKey
CVCQFCVMUMOBBJ-UHFFFAOYSA-N
Compound name
ethyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 142.6
[M+Na]+ 203.10426 150.5
[M-H]- 179.10776 145.8
[M+NH4]+ 198.14886 168.2
[M+K]+ 219.07820 148.9
[M+H-H2O]+ 163.11230 138.7
[M+HCOO]- 225.11324 164.3
[M+CH3COO]- 239.12889 182.8
[M+Na-2H]- 201.08971 144.5
[M]+ 180.11449 144.7
[M]- 180.11559 144.7
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