CID 23293121

2-[(furan-2-ylmethyl)amino]benzonitrile

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=C(C(=C1)C#N)NCC2=CC=CO2
InChI
InChI=1S/C12H10N2O/c13-8-10-4-1-2-6-12(10)14-9-11-5-3-7-15-11/h1-7,14H,9H2
InChIKey
KUDSLEWSBLTGCG-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.07932 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 147.5
[M+Na]+ 221.06854 159.8
[M+NH4]+ 216.11314 152.8
[M+K]+ 237.04248 151.2
[M-H]- 197.07204 145.5
[M+Na-2H]- 219.05399 152.8
[M]+ 198.07877 147.9
[M]- 198.07987 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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