CID 16773261

N-[3-(aminomethyl)phenyl]furan-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)CN
InChI
InChI=1S/C12H12N2O2/c13-8-9-3-1-4-10(7-9)14-12(15)11-5-2-6-16-11/h1-7H,8,13H2,(H,14,15)
InChIKey
YFHUTGIMZXHIFQ-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 148.6
[M+Na]+ 239.07909 159.5
[M+NH4]+ 234.12369 156.4
[M+K]+ 255.05303 155.8
[M-H]- 215.08259 154.0
[M+Na-2H]- 237.06454 155.6
[M]+ 216.08932 151.4
[M]- 216.09042 151.4
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

patents stripe