CID 46319

63992-39-2

Structural Information

Molecular Formula
C18H18O2
SMILES
C=CCC1=C(C=CC(=C1)O)C2=C(C=C(C=C2)O)CC=C
InChI
InChI=1S/C18H18O2/c1-3-5-13-11-15(19)7-9-17(13)18-10-8-16(20)12-14(18)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChIKey
SQTKAXOZBSHYIE-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-2-prop-2-enylphenyl)-3-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

266.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 161.8
[M+Na]+ 289.11990 170.1
[M-H]- 265.12340 166.3
[M+NH4]+ 284.16450 177.5
[M+K]+ 305.09384 163.6
[M+H-H2O]+ 249.12794 155.0
[M+HCOO]- 311.12888 182.7
[M+CH3COO]- 325.14453 196.1
[M+Na-2H]- 287.10535 164.0
[M]+ 266.13013 161.7
[M]- 266.13123 161.7
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