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]+ 176.10700 135.6
[M+Na]+ 198.08894 145.8
[M-H]- 174.09244 141.2
[M+NH4]+ 193.13354 157.6
[M+K]+ 214.06288 143.5
[M+H-H2O]+ 158.09698 130.3
[M+HCOO]- 220.09792 161.4
[M+CH3COO]- 234.11357 182.9
[M+Na-2H]- 196.07439 143.3
[M]+ 175.09917 138.4
[M]- 175.10027 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.