CID 2724151

Methyl 1-methoxybicyclo[2.2.2]oct-5-ene-2-carboxylate

Structural Information

Molecular Formula
C11H16O3
SMILES
COC(=O)C1CC2CCC1(C=C2)OC
InChI
InChI=1S/C11H16O3/c1-13-10(12)9-7-8-3-5-11(9,14-2)6-4-8/h3,5,8-9H,4,6-7H2,1-2H3
InChIKey
DFEJFZWTBMJTQN-UHFFFAOYSA-N
Compound name
methyl 1-methoxybicyclo[2.2.2]oct-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

196.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 144.3
[M+Na]+ 219.099158 149.5
[M-H]- 195.102664 141.4
[M+NH4]+ 214.143763 170.1
[M+K]+ 235.073098 148.4
[M+H-H2O]+ 179.107200 140.0
[M+HCOO]- 241.108141 156.8
[M+CH3COO]- 255.123791 188.3
[M+Na-2H]- 217.084606 155.5
[M]+ 196.10939142 148.8
[M]- 196.11048858 148.8
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