CID 519762

4-isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone

Structural Information

Molecular Formula
C15H22O
SMILES
CC(=C1CC(C(CC1=O)(C)C=C)C(=C)C)C
InChI
InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3
InChIKey
ABLPGPHZENVRRH-UHFFFAOYSA-N
Compound name
5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

218.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 148.4
[M+Na]+ 241.15629 154.8
[M-H]- 217.15979 151.7
[M+NH4]+ 236.20089 169.5
[M+K]+ 257.13023 151.6
[M+H-H2O]+ 201.16433 144.5
[M+HCOO]- 263.16527 165.8
[M+CH3COO]- 277.18092 193.2
[M+Na-2H]- 239.14174 147.8
[M]+ 218.16652 145.1
[M]- 218.16762 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe