CID 13879710

20133-19-1

Structural Information

Molecular Formula
C11H16O4
SMILES
CC(C(C1=CC(=C(C=C1)OC)OC)O)O
InChI
InChI=1S/C11H16O4/c1-7(12)11(13)8-4-5-9(14-2)10(6-8)15-3/h4-7,11-13H,1-3H3
InChIKey
HGABKKBQQGFTLR-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 146.1
[M+Na]+ 235.094078 152.9
[M-H]- 211.097584 147.3
[M+NH4]+ 230.138683 163.7
[M+K]+ 251.068018 151.9
[M+H-H2O]+ 195.102120 140.5
[M+HCOO]- 257.103061 165.8
[M+CH3COO]- 271.118711 184.5
[M+Na-2H]- 233.079526 148.3
[M]+ 212.10431142 148.2
[M]- 212.10540858 148.2
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

patents stripe