CID 23391149

2opmechpa

Structural Information

Molecular Formula
C23H26O
SMILES
CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)C
InChI
InChI=1S/C23H26O/c1-3-24-23-16-10-20(11-17-23)7-6-19-8-14-22(15-9-19)21-12-4-18(2)5-13-21/h8-11,14-18,21H,3-5,12-13H2,1-2H3
InChIKey
HZRQOMSYKLMOHC-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

318.19836 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20564 181.2
[M+Na]+ 341.18758 189.1
[M-H]- 317.19108 186.8
[M+NH4]+ 336.23218 193.6
[M+K]+ 357.16152 179.5
[M+H-H2O]+ 301.19562 166.5
[M+HCOO]- 363.19656 194.4
[M+CH3COO]- 377.21221 189.3
[M+Na-2H]- 339.17303 180.6
[M]+ 318.19781 172.8
[M]- 318.19891 172.8
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