CID 29949062

4-(1h-imidazol-4-yl)-benzylamine dihydrochloride

Structural Information

Molecular Formula
C10H11N3
SMILES
C1=CC(=CC=C1CN)C2=CN=CN2
InChI
InChI=1S/C10H11N3/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H,5,11H2,(H,12,13)
InChIKey
HGIDLCJAORUXFC-UHFFFAOYSA-N
Compound name
[4-(1H-imidazol-5-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

173.09529 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 137.0
[M+Na]+ 196.08451 149.5
[M+NH4]+ 191.12911 145.3
[M+K]+ 212.05845 144.7
[M-H]- 172.08801 140.1
[M+Na-2H]- 194.06996 145.4
[M]+ 173.09474 139.5
[M]- 173.09584 139.5
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