CID 131751056

5-[(4-hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol

Structural Information

Molecular Formula
C19H20O3
SMILES
CC(C)/C=C/C1=C(C=C(C=C1O)/C=C\C2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-13,20-22H,1-2H3/b5-4-,10-3+
InChIKey
XTDKVQYWANHUFS-MZTCIMCMSA-N
Compound name
5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 170.8
[M+Na]+ 319.13046 177.9
[M-H]- 295.13396 173.8
[M+NH4]+ 314.17506 184.5
[M+K]+ 335.10440 171.5
[M+H-H2O]+ 279.13850 163.9
[M+HCOO]- 341.13944 188.9
[M+CH3COO]- 355.15509 198.5
[M+Na-2H]- 317.11591 170.7
[M]+ 296.14069 169.8
[M]- 296.14179 169.8
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

No patent data available for this compound.