CID 4675151

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-ol

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(C1=CC2=C(C=C1)OCCO2)O
InChI
InChI=1S/C10H12O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7,11H,4-5H2,1H3
InChIKey
QSYTYSANYGEBEZ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

180.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.0
[M+Na]+ 203.06786 142.8
[M-H]- 179.07136 140.4
[M+NH4]+ 198.11246 153.7
[M+K]+ 219.04180 143.4
[M+H-H2O]+ 163.07590 130.4
[M+HCOO]- 225.07684 153.6
[M+CH3COO]- 239.09249 178.2
[M+Na-2H]- 201.05331 144.4
[M]+ 180.07809 135.8
[M]- 180.07919 135.8
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

patents stripe