CID 82458

10218-57-2

Structural Information

Molecular Formula
C21H24O2
SMILES
COC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H24O2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h8-15H,3-7H2,1-2H3
InChIKey
DSKROVAOMFMFPL-UHFFFAOYSA-N
Compound name
1-[cyclohexylidene-(4-methoxyphenyl)methyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.17764 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18492 175.3
[M+Na]+ 331.16686 178.8
[M-H]- 307.17036 183.6
[M+NH4]+ 326.21146 189.1
[M+K]+ 347.14080 174.3
[M+H-H2O]+ 291.17490 165.9
[M+HCOO]- 353.17584 193.8
[M+CH3COO]- 367.19149 205.7
[M+Na-2H]- 329.15231 176.2
[M]+ 308.17709 171.8
[M]- 308.17819 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe