CID 108387

Ethanone, 1-(1-methyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl)-

Structural Information

Molecular Formula
C15H24O
SMILES
CC(=CCCC1=CCC(CC1)(C)C(=O)C)C
InChI
InChI=1S/C15H24O/c1-12(2)6-5-7-14-8-10-15(4,11-9-14)13(3)16/h6,8H,5,7,9-11H2,1-4H3
InChIKey
JNRNEKWNRPPXMR-UHFFFAOYSA-N
Compound name
1-[1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.9
[M+Na]+ 243.17193 158.8
[M-H]- 219.17543 156.7
[M+NH4]+ 238.21653 174.4
[M+K]+ 259.14587 156.4
[M+H-H2O]+ 203.17997 148.9
[M+HCOO]- 265.18091 172.3
[M+CH3COO]- 279.19656 192.2
[M+Na-2H]- 241.15738 155.1
[M]+ 220.18216 152.5
[M]- 220.18326 152.5
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.