CID 414213

Einecs 258-365-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
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 133.0
[M+Na]+ 184.08451 140.4
[M-H]- 160.08801 135.4
[M+NH4]+ 179.12911 151.5
[M+K]+ 200.05845 136.5
[M+H-H2O]+ 144.09255 125.2
[M+HCOO]- 206.09349 154.8
[M+CH3COO]- 220.10914 145.6
[M+Na-2H]- 182.06996 138.5
[M]+ 161.09474 127.6
[M]- 161.09584 127.6
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