CID 112169

Einecs 274-184-8

Structural Information

Molecular Formula
C14H22O
SMILES
CC(C)C12CCC(C=C1)(C(C2)C(=O)C)C
InChI
InChI=1S/C14H22O/c1-10(2)14-7-5-13(4,6-8-14)12(9-14)11(3)15/h5,7,10,12H,6,8-9H2,1-4H3
InChIKey
FPUZVGQCOIRCIA-UHFFFAOYSA-N
Compound name
1-(1-methyl-4-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

206.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 154.0
[M+Na]+ 229.156288 158.8
[M-H]- 205.159794 150.9
[M+NH4]+ 224.200893 181.2
[M+K]+ 245.130228 156.1
[M+H-H2O]+ 189.164330 149.5
[M+HCOO]- 251.165271 163.8
[M+CH3COO]- 265.180921 194.3
[M+Na-2H]- 227.141736 162.6
[M]+ 206.16652142 156.1
[M]- 206.16761858 156.1
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

patents stripe