CID 56327

Brn 1345226

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCC1=C(C2=CC=CC=C2O1)CNCCO
InChI
InChI=1S/C13H17NO2/c1-2-12-11(9-14-7-8-15)10-5-3-4-6-13(10)16-12/h3-6,14-15H,2,7-9H2,1H3
InChIKey
GYJHJWBRJDSDIC-UHFFFAOYSA-N
Compound name
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.3
[M+Na]+ 242.11515 160.7
[M+NH4]+ 237.15975 156.8
[M+K]+ 258.08909 155.6
[M-H]- 218.11865 152.1
[M+Na-2H]- 240.10060 153.7
[M]+ 219.12538 151.1
[M]- 219.12648 151.1
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.