CID 519151

19091-09-9

Structural Information

Molecular Formula
C12H22O
SMILES
CC(=O)C1CCC(CC1)C(C)(C)C
InChI
InChI=1S/C12H22O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey
YMGRIFHYJBXCDV-UHFFFAOYSA-N
Compound name
1-(4-tert-butylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 143.6
[M+Na]+ 205.15629 148.2
[M-H]- 181.15979 146.5
[M+NH4]+ 200.20089 163.9
[M+K]+ 221.13023 147.2
[M+H-H2O]+ 165.16433 138.8
[M+HCOO]- 227.16527 160.8
[M+CH3COO]- 241.18092 184.3
[M+Na-2H]- 203.14174 146.2
[M]+ 182.16652 140.4
[M]- 182.16762 140.4
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