CID 104254

Einecs 258-218-9

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

25
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 137.5
[M+Na]+ 191.14063 143.9
[M-H]- 167.14413 141.0
[M+NH4]+ 186.18523 160.5
[M+K]+ 207.11457 142.9
[M+H-H2O]+ 151.14867 133.4
[M+HCOO]- 213.14961 156.5
[M+CH3COO]- 227.16526 182.3
[M+Na-2H]- 189.12608 140.5
[M]+ 168.15086 135.1
[M]- 168.15196 135.1
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