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

146
Patents

180.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 135.4
[M+Na]+ 203.067858 142.5
[M-H]- 179.071364 139.7
[M+NH4]+ 198.112463 153.2
[M+K]+ 219.041798 142.6
[M+H-H2O]+ 163.075900 129.7
[M+HCOO]- 225.076841 154.0
[M+CH3COO]- 239.092491 177.3
[M+Na-2H]- 201.053306 145.1
[M]+ 180.07809142 135.8
[M]- 180.07918858 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