CID 65385920

[2-amino-1-(furan-2-yl)ethyl](benzyl)amine

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1=CC=C(C=C1)CNC(CN)C2=CC=CO2
InChI
InChI=1S/C13H16N2O/c14-9-12(13-7-4-8-16-13)15-10-11-5-2-1-3-6-11/h1-8,12,15H,9-10,14H2
InChIKey
LWDALBLPFPHENJ-UHFFFAOYSA-N
Compound name
N-benzyl-1-(furan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.0
[M+Na]+ 239.11549 153.9
[M-H]- 215.11899 155.5
[M+NH4]+ 234.16009 166.6
[M+K]+ 255.08943 151.9
[M+H-H2O]+ 199.12353 141.5
[M+HCOO]- 261.12447 174.2
[M+CH3COO]- 275.14012 191.0
[M+Na-2H]- 237.10094 154.5
[M]+ 216.12572 147.5
[M]- 216.12682 147.5
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.