CID 60752365

2-(benzylamino)-1-(furan-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1=CC=C(C=C1)CNCC(C2=CC=CO2)O
InChI
InChI=1S/C13H15NO2/c15-12(13-7-4-8-16-13)10-14-9-11-5-2-1-3-6-11/h1-8,12,14-15H,9-10H2
InChIKey
NWMGVDCFKHVCDX-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(furan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.4
[M+Na]+ 240.09950 153.7
[M-H]- 216.10300 154.2
[M+NH4]+ 235.14410 165.9
[M+K]+ 256.07344 151.8
[M+H-H2O]+ 200.10754 141.5
[M+HCOO]- 262.10848 172.0
[M+CH3COO]- 276.12413 186.1
[M+Na-2H]- 238.08495 154.1
[M]+ 217.10973 148.2
[M]- 217.11083 148.2
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.