CID 3021956

Brn 1286170

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC1C(C2=CC=CC=C2O1)CNCCO
InChI
InChI=1S/C13H19NO2/c1-2-12-11(9-14-7-8-15)10-5-3-4-6-13(10)16-12/h3-6,11-12,14-15H,2,7-9H2,1H3
InChIKey
ADOXUXFMOCCJMV-UHFFFAOYSA-N
Compound name
2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.4
[M+Na]+ 244.13081 157.0
[M-H]- 220.13431 153.9
[M+NH4]+ 239.17541 169.7
[M+K]+ 260.10475 154.6
[M+H-H2O]+ 204.13885 144.7
[M+HCOO]- 266.13979 171.9
[M+CH3COO]- 280.15544 189.7
[M+Na-2H]- 242.11626 155.7
[M]+ 221.14104 151.5
[M]- 221.14214 151.5
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.