CID 56488

3-benzofuranmethylamine, n,2-diethyl-

Structural Information

Molecular Formula
C13H17NO
SMILES
CCC1=C(C2=CC=CC=C2O1)CNCC
InChI
InChI=1S/C13H17NO/c1-3-12-11(9-14-4-2)10-7-5-6-8-13(10)15-12/h5-8,14H,3-4,9H2,1-2H3
InChIKey
ARCYHQZBGUKSJI-UHFFFAOYSA-N
Compound name
N-[(2-ethyl-1-benzofuran-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 144.5
[M+Na]+ 226.12023 158.0
[M+NH4]+ 221.16483 154.0
[M+K]+ 242.09417 152.1
[M-H]- 202.12373 149.4
[M+Na-2H]- 224.10568 151.0
[M]+ 203.13046 147.9
[M]- 203.13156 147.9
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.