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]+ 220.133206 148.0
[M+Na]+ 242.115148 156.7
[M-H]- 218.118654 152.4
[M+NH4]+ 237.159753 167.7
[M+K]+ 258.089088 154.0
[M+H-H2O]+ 202.123190 142.3
[M+HCOO]- 264.124131 172.4
[M+CH3COO]- 278.139781 189.1
[M+Na-2H]- 240.100596 155.2
[M]+ 219.12538142 152.1
[M]- 219.12647858 152.1
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.