CID 910176

4-(1h-imidazol-4-yl)aniline

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC(=CC=C1C2=CN=CN2)N
InChI
InChI=1S/C9H9N3/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2,(H,11,12)
InChIKey
CENKJXADYBDCLM-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

207
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 131.3
[M+Na]+ 182.06887 139.8
[M-H]- 158.07237 134.1
[M+NH4]+ 177.11347 150.0
[M+K]+ 198.04281 135.7
[M+H-H2O]+ 142.07691 123.6
[M+HCOO]- 204.07785 154.5
[M+CH3COO]- 218.09350 144.5
[M+Na-2H]- 180.05432 137.9
[M]+ 159.07910 127.3
[M]- 159.08020 127.3
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