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
1
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]+ 165.16378 136.9
[M+Na]+ 187.14572 144.0
[M-H]- 163.14922 140.6
[M+NH4]+ 182.19032 158.5
[M+K]+ 203.11966 141.8
[M+H-H2O]+ 147.15376 132.1
[M+HCOO]- 209.15470 156.8
[M+CH3COO]- 223.17035 184.6
[M+Na-2H]- 185.13117 138.6
[M]+ 164.15595 134.9
[M]- 164.15705 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.