CID 18459691

1-(4,4-dimethylcyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=O)C1CCC(CC1)(C)C
InChI
InChI=1S/C10H18O/c1-8(11)9-4-6-10(2,3)7-5-9/h9H,4-7H2,1-3H3
InChIKey
BUBBPKYGMUFPIL-UHFFFAOYSA-N
Compound name
1-(4,4-dimethylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 134.5
[M+Na]+ 177.12499 140.3
[M-H]- 153.12849 137.7
[M+NH4]+ 172.16959 157.6
[M+K]+ 193.09893 139.6
[M+H-H2O]+ 137.13303 130.2
[M+HCOO]- 199.13397 153.8
[M+CH3COO]- 213.14962 178.2
[M+Na-2H]- 175.11044 138.5
[M]+ 154.13522 131.2
[M]- 154.13632 131.2
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