CID 22967444

Schembl13198972

Structural Information

Molecular Formula
C23H32O
SMILES
COC1=CC=C(C=C1)C2CCC(CC2)/C=C/C3CCC(CC3)C=C
InChI
InChI=1S/C23H32O/c1-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(24-2)17-15-22/h3,8-9,14-21H,1,4-7,10-13H2,2H3/b9-8+
InChIKey
UJKPXBPSUYJSRC-CMDGGOBGSA-N
Compound name
1-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

324.24533 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.25261 183.3
[M+Na]+ 347.23455 184.5
[M-H]- 323.23805 190.4
[M+NH4]+ 342.27915 196.7
[M+K]+ 363.20849 178.4
[M+H-H2O]+ 307.24259 173.9
[M+HCOO]- 369.24353 197.8
[M+CH3COO]- 383.25918 210.2
[M+Na-2H]- 345.22000 180.6
[M]+ 324.24478 175.1
[M]- 324.24588 175.1
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