CID 5316213

1-methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCC(=CC1)C(C)CCCC(=C)C
InChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,11,14H,1,5-7,9-10H2,2-4H3
InChIKey
XISBISVWIJDEQH-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 151.4
[M+Na]+ 227.177018 156.0
[M-H]- 203.180524 154.1
[M+NH4]+ 222.221623 170.6
[M+K]+ 243.150958 153.2
[M+H-H2O]+ 187.185060 145.4
[M+HCOO]- 249.186001 170.7
[M+CH3COO]- 263.201651 191.9
[M+Na-2H]- 225.162466 152.3
[M]+ 204.18725142 150.4
[M]- 204.18834858 150.4
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.