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]+ 181.085916 135.9
[M+Na]+ 203.067858 144.2
[M-H]- 179.071364 138.7
[M+NH4]+ 198.112463 156.5
[M+K]+ 219.041798 142.3
[M+H-H2O]+ 163.075900 131.4
[M+HCOO]- 225.076841 156.1
[M+CH3COO]- 239.092491 175.3
[M+Na-2H]- 201.053306 142.0
[M]+ 180.07809142 136.3
[M]- 180.07918858 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.