CID 3024243

Einecs 304-719-3

Structural Information

Molecular Formula
C16H26O
SMILES
CCC1CC(=CCC1C(=O)C)CCC=C(C)C
InChI
InChI=1S/C16H26O/c1-5-15-11-14(8-6-7-12(2)3)9-10-16(15)13(4)17/h7,9,15-16H,5-6,8,10-11H2,1-4H3
InChIKey
OLSRXZWBBOJSGK-UHFFFAOYSA-N
Compound name
1-[6-ethyl-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

234.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 158.8
[M+Na]+ 257.187578 163.2
[M-H]- 233.191084 161.4
[M+NH4]+ 252.232183 177.0
[M+K]+ 273.161518 160.4
[M+H-H2O]+ 217.195620 152.9
[M+HCOO]- 279.196561 176.8
[M+CH3COO]- 293.212211 196.8
[M+Na-2H]- 255.173026 157.5
[M]+ 234.19781142 157.9
[M]- 234.19890858 157.9
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.