CID 113592

Ethanone, 1-(1,2-dimethyl-4-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)-

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C12CCC(C=C1)(C(C2)(C)C(=O)C)C
InChI
InChI=1S/C15H24O/c1-11(2)15-8-6-13(4,7-9-15)14(5,10-15)12(3)16/h6,8,11H,7,9-10H2,1-5H3
InChIKey
XHZSMFXXIIGJHJ-UHFFFAOYSA-N
Compound name
1-(1,2-dimethyl-4-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 158.3
[M+Na]+ 243.17193 163.9
[M-H]- 219.17543 155.4
[M+NH4]+ 238.21653 186.9
[M+K]+ 259.14587 161.0
[M+H-H2O]+ 203.17997 153.7
[M+HCOO]- 265.18091 167.7
[M+CH3COO]- 279.19656 197.2
[M+Na-2H]- 241.15738 167.3
[M]+ 220.18216 161.1
[M]- 220.18326 161.1
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.