CID 459523

3-pyridin-4-ylaniline

Structural Information

Molecular Formula
C11H10N2
SMILES
C1=CC(=CC(=C1)N)C2=CC=NC=C2
InChI
InChI=1S/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2
InChIKey
BDSBSHZVSVKIHM-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

170.0844 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 135.6
[M+Na]+ 193.07362 150.8
[M+NH4]+ 188.11822 145.3
[M+K]+ 209.04756 142.8
[M-H]- 169.07712 141.1
[M+Na-2H]- 191.05907 146.7
[M]+ 170.08385 139.4
[M]- 170.08495 139.4
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

patents stripe