CID 13710132

3ch4b

Structural Information

Molecular Formula
C25H34
SMILES
CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)CCC
InChI
InChI=1S/C25H34/c1-3-5-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(6-4-2)9-13-22/h10-11,14-20,22H,3-9,12-13H2,1-2H3
InChIKey
OMEHFZJSPMFZBS-UHFFFAOYSA-N
Compound name
1-butyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

334.26605 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.27333 186.9
[M+Na]+ 357.25527 189.7
[M-H]- 333.25877 194.6
[M+NH4]+ 352.29987 200.2
[M+K]+ 373.22921 183.1
[M+H-H2O]+ 317.26331 177.1
[M+HCOO]- 379.26425 204.5
[M+CH3COO]- 393.27990 215.2
[M+Na-2H]- 355.24072 186.1
[M]+ 334.26550 183.7
[M]- 334.26660 183.7
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.