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 155.2
[M+Na]+ 241.19267 160.7
[M-H]- 217.19617 158.1
[M+NH4]+ 236.23727 174.3
[M+K]+ 257.16661 157.2
[M+H-H2O]+ 201.20071 149.2
[M+HCOO]- 263.20165 175.2
[M+CH3COO]- 277.21730 194.5
[M+Na-2H]- 239.17812 156.1
[M]+ 218.20290 155.6
[M]- 218.20400 155.6
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.