CID 98334

62590-71-0

Structural Information

Molecular Formula
C10H12O3
SMILES
C1C(OC2=CC=CC=C2O1)CCO
InChI
InChI=1S/C10H12O3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8,11H,5-7H2
InChIKey
VRCHCDXHBXLNKZ-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
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 135.4
[M+Na]+ 203.06786 142.5
[M-H]- 179.07136 139.7
[M+NH4]+ 198.11246 153.2
[M+K]+ 219.04180 142.6
[M+H-H2O]+ 163.07590 129.7
[M+HCOO]- 225.07684 154.0
[M+CH3COO]- 239.09249 177.3
[M+Na-2H]- 201.05331 145.1
[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