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]+ 248.16451 157.4
[M+Na]+ 270.14645 165.6
[M-H]- 246.14995 162.7
[M+NH4]+ 265.19105 176.6
[M+K]+ 286.12039 163.3
[M+H-H2O]+ 230.15449 151.0
[M+HCOO]- 292.15543 182.6
[M+CH3COO]- 306.17108 197.6
[M+Na-2H]- 268.13190 163.9
[M]+ 247.15668 164.0
[M]- 247.15778 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.