CID 21260

5189-40-2

Structural Information

Molecular Formula
C19H20O2
SMILES
C1CCC(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)CC1
InChI
InChI=1S/C19H20O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h6-13,20-21H,1-5H2
InChIKey
POEZOFHZEJTFHF-UHFFFAOYSA-N
Compound name
4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

17
Patents

280.14633 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15361 166.4
[M+Na]+ 303.13555 170.0
[M-H]- 279.13905 172.4
[M+NH4]+ 298.18015 180.1
[M+K]+ 319.10949 164.3
[M+H-H2O]+ 263.14359 158.3
[M+HCOO]- 325.14453 182.7
[M+CH3COO]- 339.16018 175.9
[M+Na-2H]- 301.12100 167.7
[M]+ 280.14578 158.8
[M]- 280.14688 158.8
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