CID 590945

1,3-cyclohexadiene, 1,3,5,5,6,6-hexamethyl-

Structural Information

Molecular Formula
C12H20
SMILES
CC1=CC(=CC(C1(C)C)(C)C)C
InChI
InChI=1S/C12H20/c1-9-7-10(2)12(5,6)11(3,4)8-9/h7-8H,1-6H3
InChIKey
CIOJWLMRGFSYSW-UHFFFAOYSA-N
Compound name
1,3,5,5,6,6-hexamethylcyclohexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.1565 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 131.8
[M+Na]+ 187.145718 141.7
[M-H]- 163.149224 136.7
[M+NH4]+ 182.190323 157.7
[M+K]+ 203.119658 140.1
[M+H-H2O]+ 147.153760 128.6
[M+HCOO]- 209.154701 154.1
[M+CH3COO]- 223.170351 183.6
[M+Na-2H]- 185.131166 138.3
[M]+ 164.15595142 133.3
[M]- 164.15704858 133.3
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.