CID 54141

1,3-benzodioxole-5,6-dimethanol

Structural Information

Molecular Formula
C9H10O4
SMILES
C1OC2=C(O1)C=C(C(=C2)CO)CO
InChI
InChI=1S/C9H10O4/c10-3-6-1-8-9(13-5-12-8)2-7(6)4-11/h1-2,10-11H,3-5H2
InChIKey
HYLFQYKSYQWDOA-UHFFFAOYSA-N
Compound name
[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 134.3
[M+Na]+ 205.047118 143.0
[M-H]- 181.050624 137.9
[M+NH4]+ 200.091723 153.4
[M+K]+ 221.021058 142.8
[M+H-H2O]+ 165.055160 130.0
[M+HCOO]- 227.056101 154.0
[M+CH3COO]- 241.071751 174.6
[M+Na-2H]- 203.032566 141.9
[M]+ 182.05735142 136.5
[M]- 182.05844858 136.5
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.