CID 6454387

62386-37-2

Structural Information

Molecular Formula
C19H20O2
SMILES
C=CCC1=C(C=CC(=C1)CC2=CC(=C(C=C2)O)CC=C)O
InChI
InChI=1S/C19H20O2/c1-3-5-16-12-14(7-9-18(16)20)11-15-8-10-19(21)17(13-15)6-4-2/h3-4,7-10,12-13,20-21H,1-2,5-6,11H2
InChIKey
USBRHIZNALIOEI-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

253
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 174.2
[M-H]- 279.13905 170.7
[M+NH4]+ 298.18015 181.5
[M+K]+ 319.10949 167.5
[M+H-H2O]+ 263.14359 159.4
[M+HCOO]- 325.14453 186.9
[M+CH3COO]- 339.16018 199.1
[M+Na-2H]- 301.12100 168.1
[M]+ 280.14578 166.6
[M]- 280.14688 166.6
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