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]+ 205.19508 148.2
[M+Na]+ 227.17702 154.0
[M-H]- 203.18052 151.4
[M+NH4]+ 222.22162 169.7
[M+K]+ 243.15096 151.2
[M+H-H2O]+ 187.18506 143.7
[M+HCOO]- 249.18600 166.3
[M+CH3COO]- 263.20165 192.1
[M+Na-2H]- 225.16247 148.9
[M]+ 204.18725 145.8
[M]- 204.18835 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.