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]+ 183.06518 134.6
[M+Na]+ 205.04712 146.2
[M+NH4]+ 200.09172 142.6
[M+K]+ 221.02106 143.8
[M-H]- 181.05062 137.8
[M+Na-2H]- 203.03257 137.7
[M]+ 182.05735 137.0
[M]- 182.05845 137.0
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.