CID 13879710

1-(3,4-dimethoxyphenyl)propane-1,2-diol

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

3
Patents

212.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.1
[M+Na]+ 235.09408 152.9
[M-H]- 211.09758 147.3
[M+NH4]+ 230.13868 163.7
[M+K]+ 251.06802 151.9
[M+H-H2O]+ 195.10212 140.5
[M+HCOO]- 257.10306 165.8
[M+CH3COO]- 271.11871 184.5
[M+Na-2H]- 233.07953 148.3
[M]+ 212.10431 148.2
[M]- 212.10541 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