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]+ 191.10666 139.8
[M+Na]+ 213.08860 149.6
[M-H]- 189.09210 144.6
[M+NH4]+ 208.13320 161.0
[M+K]+ 229.06254 147.8
[M+H-H2O]+ 173.09664 135.0
[M+HCOO]- 235.09758 162.6
[M+CH3COO]- 249.11323 182.0
[M+Na-2H]- 211.07405 146.0
[M]+ 190.09883 143.6
[M]- 190.09993 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.