CID 20539426

2ch3b

Structural Information

Molecular Formula
C23H30
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)CC
InChI
InChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h8-9,12-18,20H,3-7,10-11H2,1-2H3
InChIKey
FDNMWPPDANFBAT-UHFFFAOYSA-N
Compound name
1-(4-ethylcyclohexyl)-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

306.23474 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.24202 177.9
[M+Na]+ 329.22396 181.6
[M-H]- 305.22746 186.0
[M+NH4]+ 324.26856 192.4
[M+K]+ 345.19790 175.5
[M+H-H2O]+ 289.23200 168.5
[M+HCOO]- 351.23294 196.1
[M+CH3COO]- 365.24859 209.3
[M+Na-2H]- 327.20941 178.2
[M]+ 306.23419 174.0
[M]- 306.23529 174.0
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