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]+ 259.20564 164.1
[M+Na]+ 281.18758 167.8
[M-H]- 257.19108 169.5
[M+NH4]+ 276.23218 180.8
[M+K]+ 297.16152 164.0
[M+H-H2O]+ 241.19562 156.6
[M+HCOO]- 303.19656 182.2
[M+CH3COO]- 317.21221 199.4
[M+Na-2H]- 279.17303 164.4
[M]+ 258.19781 161.1
[M]- 258.19891 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