CID 85783

14886-22-7

Structural Information

Molecular Formula
C11H20O
SMILES
CC1CC(CC(C1)(C)C)C(=O)C
InChI
InChI=1S/C11H20O/c1-8-5-10(9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3
InChIKey
ALVCXKYZMQCATP-UHFFFAOYSA-N
Compound name
1-(3,3,5-trimethylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

168.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 137.5
[M+Na]+ 191.140628 143.9
[M-H]- 167.144134 141.0
[M+NH4]+ 186.185233 160.5
[M+K]+ 207.114568 142.9
[M+H-H2O]+ 151.148670 133.4
[M+HCOO]- 213.149611 156.5
[M+CH3COO]- 227.165261 182.3
[M+Na-2H]- 189.126076 140.5
[M]+ 168.15086142 135.1
[M]- 168.15195858 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