CID 352372

4-(4,5-dihydro-1h-imidazol-2-yl)aniline

Structural Information

Molecular Formula
C9H11N3
SMILES
C1CN=C(N1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H11N3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6,10H2,(H,11,12)
InChIKey
HSJPRHDSBNINIJ-UHFFFAOYSA-N
Compound name
4-(4,5-dihydro-1H-imidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

161.09529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10257 134.0
[M+Na]+ 184.08451 145.8
[M+NH4]+ 179.12911 142.4
[M+K]+ 200.05845 141.4
[M-H]- 160.08801 137.0
[M+Na-2H]- 182.06996 141.7
[M]+ 161.09474 136.3
[M]- 161.09584 136.3
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