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]+ 264.15941 162.3
[M+Na]+ 286.14135 168.8
[M-H]- 262.14485 167.4
[M+NH4]+ 281.18595 180.2
[M+K]+ 302.11529 168.1
[M+H-H2O]+ 246.14939 155.6
[M+HCOO]- 308.15033 185.6
[M+CH3COO]- 322.16598 200.3
[M+Na-2H]- 284.12680 167.0
[M]+ 263.15158 168.6
[M]- 263.15268 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.