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

144
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 143.6
[M+Na]+ 205.156288 148.2
[M-H]- 181.159794 146.5
[M+NH4]+ 200.200893 163.9
[M+K]+ 221.130228 147.2
[M+H-H2O]+ 165.164330 138.8
[M+HCOO]- 227.165271 160.8
[M+CH3COO]- 241.180921 184.3
[M+Na-2H]- 203.141736 146.2
[M]+ 182.16652142 140.4
[M]- 182.16761858 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