CID 15957489

[1,1'-biphenyl]-3,4'-diol, 4-[(2s)-2-hydroxy-3-methyl-3-butenyl]-5-methoxy-

Structural Information

Molecular Formula
C18H20O4
SMILES
CC(=C)[C@H](CC1=C(C=C(C=C1OC)C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C18H20O4/c1-11(2)16(20)10-15-17(21)8-13(9-18(15)22-3)12-4-6-14(19)7-5-12/h4-9,16,19-21H,1,10H2,2-3H3/t16-/m0/s1
InChIKey
GPXDTQNKGDHGDE-INIZCTEOSA-N
Compound name
2-[(2S)-2-hydroxy-3-methylbut-3-enyl]-5-(4-hydroxyphenyl)-3-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.143446 169.9
[M+Na]+ 323.125388 176.4
[M-H]- 299.128894 173.0
[M+NH4]+ 318.169993 183.1
[M+K]+ 339.099328 172.2
[M+H-H2O]+ 283.133430 162.9
[M+HCOO]- 345.134371 187.3
[M+CH3COO]- 359.150021 200.7
[M+Na-2H]- 321.110836 169.2
[M]+ 300.13562142 170.2
[M]- 300.13671858 170.2
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

No patent data available for this compound.