CID 12456170

4-(pyrimidin-2-yl)aniline

Structural Information

Molecular Formula
C10H9N3
SMILES
C1=CN=C(N=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H9N3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H,11H2
InChIKey
RUVNVJCKWOOLOH-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

171.07965 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.08693 134.9
[M+Na]+ 194.06887 143.5
[M-H]- 170.07237 138.7
[M+NH4]+ 189.11347 151.9
[M+K]+ 210.04281 139.6
[M+H-H2O]+ 154.07691 126.5
[M+HCOO]- 216.07785 158.4
[M+CH3COO]- 230.09350 148.0
[M+Na-2H]- 192.05432 144.1
[M]+ 171.07910 132.3
[M]- 171.08020 132.3
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