CID 22967444

Vchvch-meop

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]+ 325.252606 183.3
[M+Na]+ 347.234548 184.5
[M-H]- 323.238054 190.4
[M+NH4]+ 342.279153 196.7
[M+K]+ 363.208488 178.4
[M+H-H2O]+ 307.242590 173.9
[M+HCOO]- 369.243531 197.8
[M+CH3COO]- 383.259181 210.2
[M+Na-2H]- 345.219996 180.6
[M]+ 324.24478142 175.1
[M]- 324.24587858 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