CID 109192

Einecs 268-977-8

Structural Information

Molecular Formula
C16H26O
SMILES
CCC(=O)C1CC=C(CC1C)CCC=C(C)C
InChI
InChI=1S/C16H26O/c1-5-16(17)15-10-9-14(11-13(15)4)8-6-7-12(2)3/h7,9,13,15H,5-6,8,10-11H2,1-4H3
InChIKey
CWKCCNHFQBRJEZ-UHFFFAOYSA-N
Compound name
1-[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

234.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 158.8
[M+Na]+ 257.18758 163.2
[M-H]- 233.19108 161.4
[M+NH4]+ 252.23218 177.0
[M+K]+ 273.16152 160.4
[M+H-H2O]+ 217.19562 152.9
[M+HCOO]- 279.19656 176.8
[M+CH3COO]- 293.21221 196.8
[M+Na-2H]- 255.17303 157.5
[M]+ 234.19781 157.9
[M]- 234.19891 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

patents stripe