CID 101000243

256472-68-1

Structural Information

Molecular Formula
C10H12O3
SMILES
C1COC2=CC=CC(=C21)[C@@H](CO)O
InChI
InChI=1S/C10H12O3/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-3,9,11-12H,4-6H2/t9-/m1/s1
InChIKey
GISHMZNHTLGCGK-SECBINFHSA-N
Compound name
(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.8
[M+Na]+ 203.06786 143.8
[M-H]- 179.07136 139.3
[M+NH4]+ 198.11246 157.0
[M+K]+ 219.04180 142.4
[M+H-H2O]+ 163.07590 132.1
[M+HCOO]- 225.07684 155.9
[M+CH3COO]- 239.09249 175.0
[M+Na-2H]- 201.05331 142.3
[M]+ 180.07809 136.1
[M]- 180.07919 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe