CID 564652

1,2,3,6-tetramethylbicyclo[2.2.2]oct-2-ene

Structural Information

Molecular Formula
C12H20
SMILES
CC1CC2CCC1(C(=C2C)C)C
InChI
InChI=1S/C12H20/c1-8-7-11-5-6-12(8,4)10(3)9(11)2/h8,11H,5-7H2,1-4H3
InChIKey
HTNGHDOJIWNQCM-UHFFFAOYSA-N
Compound name
1,2,3,6-tetramethylbicyclo[2.2.2]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.1565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 140.7
[M+Na]+ 187.145718 147.5
[M-H]- 163.149224 138.5
[M+NH4]+ 182.190323 168.6
[M+K]+ 203.119658 144.6
[M+H-H2O]+ 147.153760 136.7
[M+HCOO]- 209.154701 153.0
[M+CH3COO]- 223.170351 152.6
[M+Na-2H]- 185.131166 150.6
[M]+ 164.15595142 143.0
[M]- 164.15704858 143.0
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

No patent data available for this compound.