CID 89316

Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3r-trans)-

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)C1=CC(C(CC1)(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/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3
InChIKey
MXDMETWAEGIFOE-UHFFFAOYSA-N
Compound name
4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

117
References

569
Patents

204.1878 Da
Monoisotopic Mass

5.3
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

literature stripe

Patent stripe

patents stripe