CID 199584

4464-75-9

Structural Information

Molecular Formula
C16H18O6
SMILES
COC1=C(C=CC(=C1)C(C(C2=CC(=C(C=C2)O)OC)O)O)O
InChI
InChI=1S/C16H18O6/c1-21-13-7-9(3-5-11(13)17)15(19)16(20)10-4-6-12(18)14(8-10)22-2/h3-8,15-20H,1-2H3
InChIKey
FEQZTUASSSOEFA-UHFFFAOYSA-N
Compound name
1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

306.11035 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11763 169.5
[M+Na]+ 329.09957 180.7
[M+NH4]+ 324.14417 174.6
[M+K]+ 345.07351 177.4
[M-H]- 305.10307 170.3
[M+Na-2H]- 327.08502 173.9
[M]+ 306.10980 171.0
[M]- 306.11090 171.0
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