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]+ 204.138286 144.7
[M+Na]+ 226.120228 154.0
[M-H]- 202.123734 150.5
[M+NH4]+ 221.164833 165.8
[M+K]+ 242.094168 151.6
[M+H-H2O]+ 186.128270 139.0
[M+HCOO]- 248.129211 170.4
[M+CH3COO]- 262.144861 189.6
[M+Na-2H]- 224.105676 152.3
[M]+ 203.13046142 149.2
[M]- 203.13155858 149.2
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.