CID 3076653

131964-42-6

Structural Information

Molecular Formula
C14H19NO3
SMILES
CN(C)CCOCC(C1=CC2=C(C=C1)OC=C2)O
InChI
InChI=1S/C14H19NO3/c1-15(2)6-8-17-10-13(16)11-3-4-14-12(9-11)5-7-18-14/h3-5,7,9,13,16H,6,8,10H2,1-2H3
InChIKey
QLLUZYFWGJZGRL-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

249.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.5
[M+Na]+ 272.12571 164.4
[M-H]- 248.12921 162.8
[M+NH4]+ 267.17031 176.0
[M+K]+ 288.09965 164.0
[M+H-H2O]+ 232.13375 151.0
[M+HCOO]- 294.13469 181.2
[M+CH3COO]- 308.15034 197.3
[M+Na-2H]- 270.11116 162.7
[M]+ 249.13594 163.4
[M]- 249.13704 163.4
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