CID 13805405

1-phenyl-1h-imidazol-2-amine

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC=C(C=C1)N2C=CN=C2N
InChI
InChI=1S/C9H9N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-7H,(H2,10,11)
InChIKey
ACOLGRUIHSRLDA-UHFFFAOYSA-N
Compound name
1-phenylimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

159.07965 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 130.9
[M+Na]+ 182.06887 139.8
[M-H]- 158.07237 135.0
[M+NH4]+ 177.11347 150.3
[M+K]+ 198.04281 136.6
[M+H-H2O]+ 142.07691 122.9
[M+HCOO]- 204.07785 155.6
[M+CH3COO]- 218.09350 144.7
[M+Na-2H]- 180.05432 137.9
[M]+ 159.07910 128.8
[M]- 159.08020 128.8
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