CID 321225

3-(1h-imidazol-1-yl)aniline

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC(=CC(=C1)N2C=CN=C2)N
InChI
InChI=1S/C9H9N3/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H,10H2
InChIKey
JVKJLZRWXBUBFN-UHFFFAOYSA-N
Compound name
3-imidazol-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

312
Patents

159.07965 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 132.1
[M+Na]+ 182.06887 145.4
[M+NH4]+ 177.11347 140.9
[M+K]+ 198.04281 140.5
[M-H]- 158.07237 135.8
[M+Na-2H]- 180.05432 141.3
[M]+ 159.07910 134.9
[M]- 159.08020 134.9
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