CID 106942

67890-78-2

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(C)C12CCC(CC1C(=O)OC)(C=C2)C
InChI
InChI=1S/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)9-11(14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3
InChIKey
WGPDTCIMQPMEHS-UHFFFAOYSA-N
Compound name
methyl 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 153.3
[M+Na]+ 245.15121 162.7
[M+NH4]+ 240.19581 166.2
[M+K]+ 261.12515 152.4
[M-H]- 221.15471 151.2
[M+Na-2H]- 243.13666 153.6
[M]+ 222.16144 154.3
[M]- 222.16254 154.3
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

No patent data available for this compound.