CID 29076168

1303889-76-0

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C2C(=C1)C=C(O2)[C@H](C3=CN=CC=C3)N
InChI
InChI=1S/C14H12N2O/c15-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-9,14H,15H2/t14-/m0/s1
InChIKey
BIQHNLUUSFOCKK-AWEZNQCLSA-N
Compound name
(S)-1-benzofuran-2-yl(pyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

224.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 147.6
[M+Na]+ 247.084178 156.6
[M-H]- 223.087684 154.7
[M+NH4]+ 242.128783 165.3
[M+K]+ 263.058118 153.3
[M+H-H2O]+ 207.092220 139.9
[M+HCOO]- 269.093161 171.5
[M+CH3COO]- 283.108811 161.0
[M+Na-2H]- 245.069626 155.3
[M]+ 224.09441142 148.4
[M]- 224.09550858 148.4
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

No patent data available for this compound.