CID 536973

4-cyclohexylbutan-2-one

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=O)CCC1CCCCC1
InChI
InChI=1S/C10H18O/c1-9(11)7-8-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKey
IRQGFFDNBUXBLR-UHFFFAOYSA-N
Compound name
4-cyclohexylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

154.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 136.8
[M+Na]+ 177.12499 147.1
[M+NH4]+ 172.16959 145.8
[M+K]+ 193.09893 140.5
[M-H]- 153.12849 138.8
[M+Na-2H]- 175.11044 141.7
[M]+ 154.13522 138.6
[M]- 154.13632 138.6
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