CID 476856

Meso-dihydroguaiaretic acid

Structural Information

Molecular Formula
C20H26O4
SMILES
C[C@H](CC1=CC(=C(C=C1)O)OC)[C@@H](C)CC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
InChIKey
ADFOLUXMYYCTRR-OKILXGFUSA-N
Compound name
4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

64
References

542
Patents

330.1831 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 180.0
[M+Na]+ 353.17232 185.8
[M-H]- 329.17582 184.1
[M+NH4]+ 348.21692 192.8
[M+K]+ 369.14626 182.6
[M+H-H2O]+ 313.18036 172.3
[M+HCOO]- 375.18130 198.1
[M+CH3COO]- 389.19695 209.7
[M+Na-2H]- 351.15777 178.7
[M]+ 330.18255 183.5
[M]- 330.18365 183.5
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