CID 56186

3-benzofuranmethylamine, 2-ethyl-

Structural Information

Molecular Formula
C11H13NO
SMILES
CCC1=C(C2=CC=CC=C2O1)CN
InChI
InChI=1S/C11H13NO/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-6H,2,7,12H2,1H3
InChIKey
VVSUCVZKZJDFRK-UHFFFAOYSA-N
Compound name
(2-ethyl-1-benzofuran-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 135.6
[M+Na]+ 198.088938 145.8
[M-H]- 174.092444 141.2
[M+NH4]+ 193.133543 157.6
[M+K]+ 214.062878 143.5
[M+H-H2O]+ 158.096980 130.3
[M+HCOO]- 220.097921 161.4
[M+CH3COO]- 234.113571 182.9
[M+Na-2H]- 196.074386 143.3
[M]+ 175.09917142 138.4
[M]- 175.10026858 138.4
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.