CID 111381

Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethyl)-, didehydro deriv.

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)C1CC(C(C=C1)(C)C=C)C(=C)C
InChI
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7-9,11,13-14H,1,4,10H2,2-3,5-6H3
InChIKey
XVRFIWWOQCZTPI-UHFFFAOYSA-N
Compound name
3-ethenyl-3-methyl-6-propan-2-yl-4-prop-1-en-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 148.2
[M+Na]+ 227.177018 154.0
[M-H]- 203.180524 151.4
[M+NH4]+ 222.221623 169.7
[M+K]+ 243.150958 151.2
[M+H-H2O]+ 187.185060 143.7
[M+HCOO]- 249.186001 166.3
[M+CH3COO]- 263.201651 192.1
[M+Na-2H]- 225.162466 148.9
[M]+ 204.18725142 145.8
[M]- 204.18834858 145.8
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

No patent data available for this compound.