CID 359559

Nsc620550

Structural Information

Molecular Formula
C10H12O3
SMILES
C1COC2=CC(=C(C=C21)CO)CO
InChI
InChI=1S/C10H12O3/c11-5-8-3-7-1-2-13-10(7)4-9(8)6-12/h3-4,11-12H,1-2,5-6H2
InChIKey
PHGNGMREPUCCLI-UHFFFAOYSA-N
Compound name
[6-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 135.9
[M+Na]+ 203.06786 144.2
[M-H]- 179.07136 138.7
[M+NH4]+ 198.11246 156.5
[M+K]+ 219.04180 142.3
[M+H-H2O]+ 163.07590 131.4
[M+HCOO]- 225.07684 156.1
[M+CH3COO]- 239.09249 175.3
[M+Na-2H]- 201.05331 142.0
[M]+ 180.07809 136.3
[M]- 180.07919 136.3
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.