CID 3104713

83626-30-6

Structural Information

Molecular Formula
C18H26O
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C18H26O/c1-3-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19/h10-13,15,17H,3-9H2,1-2H3
InChIKey
JSSOGWPPKQYPSP-UHFFFAOYSA-N
Compound name
1-[4-(4-butylcyclohexyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.19836 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 164.1
[M+Na]+ 281.187578 167.8
[M-H]- 257.191084 169.5
[M+NH4]+ 276.232183 180.8
[M+K]+ 297.161518 164.0
[M+H-H2O]+ 241.195620 156.6
[M+HCOO]- 303.196561 182.2
[M+CH3COO]- 317.212211 199.4
[M+Na-2H]- 279.173026 164.4
[M]+ 258.19781142 161.1
[M]- 258.19890858 161.1
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