CID 3076666

Alpha-((3-(dimethylamino)propoxy)methyl)-5-benzofuranmethanol

Structural Information

Molecular Formula
C15H21NO3
SMILES
CN(C)CCCOCC(C1=CC2=C(C=C1)OC=C2)O
InChI
InChI=1S/C15H21NO3/c1-16(2)7-3-8-18-11-14(17)12-4-5-15-13(10-12)6-9-19-15/h4-6,9-10,14,17H,3,7-8,11H2,1-2H3
InChIKey
GROJVQBZSCFAAA-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-5-yl)-2-[3-(dimethylamino)propoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.3
[M+Na]+ 286.141348 168.8
[M-H]- 262.144854 167.4
[M+NH4]+ 281.185953 180.2
[M+K]+ 302.115288 168.1
[M+H-H2O]+ 246.149390 155.6
[M+HCOO]- 308.150331 185.6
[M+CH3COO]- 322.165981 200.3
[M+Na-2H]- 284.126796 167.0
[M]+ 263.15158142 168.6
[M]- 263.15267858 168.6
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.