CID 170451

1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C9H12O4
SMILES
COC1=C(C=C(C=C1)C(CO)O)O
InChI
InChI=1S/C9H12O4/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,10-12H,5H2,1H3
InChIKey
FBDKAIYPFAFJHV-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

21
Patents

184.07356 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 137.7
[M+Na]+ 207.06278 148.5
[M+NH4]+ 202.10738 144.4
[M+K]+ 223.03672 144.7
[M-H]- 183.06628 137.3
[M+Na-2H]- 205.04823 142.0
[M]+ 184.07301 138.8
[M]- 184.07411 138.8
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