CID 16770128

1-(3-ethyl-1-benzofuran-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC1=C(OC2=CC=CC=C21)C(C)O
InChI
InChI=1S/C12H14O2/c1-3-9-10-6-4-5-7-11(10)14-12(9)8(2)13/h4-8,13H,3H2,1-2H3
InChIKey
AHPXQPLQXPMPKN-UHFFFAOYSA-N
Compound name
1-(3-ethyl-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.8
[M+Na]+ 213.088598 149.6
[M-H]- 189.092104 144.6
[M+NH4]+ 208.133203 161.0
[M+K]+ 229.062538 147.8
[M+H-H2O]+ 173.096640 135.0
[M+HCOO]- 235.097581 162.6
[M+CH3COO]- 249.113231 182.0
[M+Na-2H]- 211.074046 146.0
[M]+ 190.09883142 143.6
[M]- 190.09992858 143.6
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.