CID 459518

4-(pyridin-2-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

482
Patents

170.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 134.6
[M+Na]+ 193.07362 142.8
[M-H]- 169.07712 139.8
[M+NH4]+ 188.11822 153.0
[M+K]+ 209.04756 138.9
[M+H-H2O]+ 153.08166 127.0
[M+HCOO]- 215.08260 159.2
[M+CH3COO]- 229.09825 148.1
[M+Na-2H]- 191.05907 143.2
[M]+ 170.08385 131.8
[M]- 170.08495 131.8
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