CID 106893

1,3,4-trimethyl-5-(isopropenyl)-1-cyclohexene

Structural Information

Molecular Formula
C12H20
SMILES
CC1C=C(CC(C1C)C(=C)C)C
InChI
InChI=1S/C12H20/c1-8(2)12-7-9(3)6-10(4)11(12)5/h6,10-12H,1,7H2,2-5H3
InChIKey
LLLZQCRAEFSLPQ-UHFFFAOYSA-N
Compound name
1,3,4-trimethyl-5-prop-1-en-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

164.1565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 136.9
[M+Na]+ 187.145718 144.0
[M-H]- 163.149224 140.6
[M+NH4]+ 182.190323 158.5
[M+K]+ 203.119658 141.8
[M+H-H2O]+ 147.153760 132.1
[M+HCOO]- 209.154701 156.8
[M+CH3COO]- 223.170351 184.6
[M+Na-2H]- 185.131166 138.6
[M]+ 164.15595142 134.9
[M]- 164.15704858 134.9
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.