CID 131752223

1,2-dimethyl-4-(6-methyl-4-heptenyl)-1,3-cyclohexadiene

Structural Information

Molecular Formula
C16H26
SMILES
CC1=C(C=C(CC1)CCC/C=C/C(C)C)C
InChI
InChI=1S/C16H26/c1-13(2)8-6-5-7-9-16-11-10-14(3)15(4)12-16/h6,8,12-13H,5,7,9-11H2,1-4H3/b8-6+
InChIKey
XYIGWLWHEYDGNU-SOFGYWHQSA-N
Compound name
1,2-dimethyl-4-[(E)-6-methylhept-4-enyl]cyclohexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.20345 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.21073 156.1
[M+Na]+ 241.19267 168.3
[M+NH4]+ 236.23727 164.9
[M+K]+ 257.16661 159.8
[M-H]- 217.19617 158.9
[M+Na-2H]- 239.17812 161.3
[M]+ 218.20290 158.7
[M]- 218.20400 158.7
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

No patent data available for this compound.