CID 14847950

3p2ochpa

Structural Information

Molecular Formula
C25H30O
SMILES
CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)OCC
InChI
InChI=1S/C25H30O/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26-4-2/h6-9,12-15,24-25H,3-5,16-19H2,1-2H3
InChIKey
WHWILRWULNPQJR-UHFFFAOYSA-N
Compound name
1-(4-ethoxycyclohexyl)-4-[2-(4-propylphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.22968 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23696 188.9
[M+Na]+ 369.21890 196.0
[M-H]- 345.22240 194.2
[M+NH4]+ 364.26350 200.2
[M+K]+ 385.19284 186.0
[M+H-H2O]+ 329.22694 173.8
[M+HCOO]- 391.22788 201.5
[M+CH3COO]- 405.24353 218.8
[M+Na-2H]- 367.20435 187.3
[M]+ 346.22913 181.1
[M]- 346.23023 181.1
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