CID 27941

16587-71-6

Structural Information

Molecular Formula
C11H20O
SMILES
CCC(C)(C)C1CCC(=O)CC1
InChI
InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3
InChIKey
DCSKAMGZSIRJAQ-UHFFFAOYSA-N
Compound name
4-(2-methylbutan-2-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4155
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 139.3
[M+Na]+ 191.140628 144.5
[M-H]- 167.144134 142.2
[M+NH4]+ 186.185233 160.0
[M+K]+ 207.114568 143.2
[M+H-H2O]+ 151.148670 134.5
[M+HCOO]- 213.149611 157.8
[M+CH3COO]- 227.165261 181.1
[M+Na-2H]- 189.126076 143.6
[M]+ 168.15086142 136.4
[M]- 168.15195858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe