CID 106713

67392-15-8

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(C)C12CCC(C=C1)(C(C2)C(=O)OC)C
InChI
InChI=1S/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3
InChIKey
NXAJZPARDMDLKH-UHFFFAOYSA-N
Compound name
methyl 1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
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 157.2
[M+Na]+ 245.15121 162.0
[M-H]- 221.15471 154.0
[M+NH4]+ 240.19581 183.8
[M+K]+ 261.12515 159.9
[M+H-H2O]+ 205.15925 152.6
[M+HCOO]- 267.16019 167.2
[M+CH3COO]- 281.17584 195.7
[M+Na-2H]- 243.13666 166.0
[M]+ 222.16144 160.7
[M]- 222.16254 160.7
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