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]+ 205.19508 151.4
[M+Na]+ 227.17702 156.0
[M-H]- 203.18052 154.1
[M+NH4]+ 222.22162 170.6
[M+K]+ 243.15096 153.2
[M+H-H2O]+ 187.18506 145.4
[M+HCOO]- 249.18600 170.7
[M+CH3COO]- 263.20165 191.9
[M+Na-2H]- 225.16247 152.3
[M]+ 204.18725 150.4
[M]- 204.18835 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.