CID 615174

4-(trans-4-propylcyclohexyl)acetophenone

Structural Information

Molecular Formula
C17H24O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C17H24O/c1-3-4-14-5-7-16(8-6-14)17-11-9-15(10-12-17)13(2)18/h9-12,14,16H,3-8H2,1-2H3
InChIKey
UWGGZNZTKLZDNU-UHFFFAOYSA-N
Compound name
1-[4-(4-propylcyclohexyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

244.18271 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 159.5
[M+Na]+ 267.17193 163.6
[M-H]- 243.17543 165.0
[M+NH4]+ 262.21653 176.7
[M+K]+ 283.14587 160.1
[M+H-H2O]+ 227.17997 152.2
[M+HCOO]- 289.18091 178.0
[M+CH3COO]- 303.19656 196.4
[M+Na-2H]- 265.15738 160.3
[M]+ 244.18216 156.2
[M]- 244.18326 156.2
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