CID 3044298

1-(5-hydroxy-2-methoxyphenyl)-1,2-ethanediol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 137.4
[M+Na]+ 207.06278 144.9
[M-H]- 183.06628 137.5
[M+NH4]+ 202.10738 155.5
[M+K]+ 223.03672 143.0
[M+H-H2O]+ 167.07082 132.3
[M+HCOO]- 229.07176 157.3
[M+CH3COO]- 243.08741 175.0
[M+Na-2H]- 205.04823 141.5
[M]+ 184.07301 137.6
[M]- 184.07411 137.6
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.