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]+ 225.10224 147.6
[M+Na]+ 247.08418 156.6
[M-H]- 223.08768 154.7
[M+NH4]+ 242.12878 165.3
[M+K]+ 263.05812 153.3
[M+H-H2O]+ 207.09222 139.9
[M+HCOO]- 269.09316 171.5
[M+CH3COO]- 283.10881 161.0
[M+Na-2H]- 245.06963 155.3
[M]+ 224.09441 148.4
[M]- 224.09551 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.