CID 104254

Cis-1-(2,2,6-trimethylcyclohexyl)ethanone

Structural Information

Molecular Formula
C11H20O
SMILES
C[C@@H]1CCCC([C@@H]1C(=O)C)(C)C
InChI
InChI=1S/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h8,10H,5-7H2,1-4H3/t8-,10+/m1/s1
InChIKey
LGEFCQRTSXYJAD-SCZZXKLOSA-N
Compound name
1-[(1R,6R)-2,2,6-trimethylcyclohexyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 139.9
[M+Na]+ 191.14063 150.9
[M+NH4]+ 186.18523 150.2
[M+K]+ 207.11457 142.9
[M-H]- 167.14413 142.0
[M+Na-2H]- 189.12608 145.8
[M]+ 168.15086 142.1
[M]- 168.15196 142.1
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

patents stripe