CID 4144247

1-cyclohexyl-3-methyl-1-butanone

Structural Information

Molecular Formula
C11H20O
SMILES
CC(C)CC(=O)C1CCCCC1
InChI
InChI=1S/C11H20O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey
NQUJMAMSZWHAIC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 141.2
[M+Na]+ 191.14063 144.4
[M-H]- 167.14413 143.5
[M+NH4]+ 186.18523 161.3
[M+K]+ 207.11457 143.6
[M+H-H2O]+ 151.14867 135.5
[M+HCOO]- 213.14961 159.1
[M+CH3COO]- 227.16526 181.4
[M+Na-2H]- 189.12608 142.8
[M]+ 168.15086 137.0
[M]- 168.15196 137.0
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

No patent data available for this compound.