CID 56476

Brn 1346301

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC1=C(C2=CC=CC=C2O1)CNCCCOC
InChI
InChI=1S/C15H21NO2/c1-3-14-13(11-16-9-6-10-17-2)12-7-4-5-8-15(12)18-14/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKey
KHRHXEVZCRSXGW-UHFFFAOYSA-N
Compound name
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.4
[M+Na]+ 270.146448 165.6
[M-H]- 246.149954 162.7
[M+NH4]+ 265.191053 176.6
[M+K]+ 286.120388 163.3
[M+H-H2O]+ 230.154490 151.0
[M+HCOO]- 292.155431 182.6
[M+CH3COO]- 306.171081 197.6
[M+Na-2H]- 268.131896 163.9
[M]+ 247.15668142 164.0
[M]- 247.15777858 164.0
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.