CID 3044297

1-(2,5-dimethoxyphenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C10H14O4
SMILES
COC1=CC(=C(C=C1)OC)C(CO)O
InChI
InChI=1S/C10H14O4/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,11-12H,6H2,1-2H3
InChIKey
VNNWBKGUIXDGLA-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 141.3
[M+Na]+ 221.078418 148.8
[M-H]- 197.081924 142.7
[M+NH4]+ 216.123023 159.6
[M+K]+ 237.052358 147.6
[M+H-H2O]+ 181.086460 135.9
[M+HCOO]- 243.087401 162.5
[M+CH3COO]- 257.103051 180.5
[M+Na-2H]- 219.063866 145.4
[M]+ 198.08865142 143.8
[M]- 198.08974858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.