CID 43649206

1311317-73-3

Structural Information

Molecular Formula
C10H10ClN3
SMILES
C1=CC(=CC=C1C2=CN=C(N2)CN)Cl
InChI
InChI=1S/C10H10ClN3/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2,(H,13,14)
InChIKey
RDOJFKMPPSAZGC-UHFFFAOYSA-N
Compound name
[5-(4-chlorophenyl)-1H-imidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05632 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 143.5
[M+Na]+ 230.045538 153.1
[M-H]- 206.049044 146.0
[M+NH4]+ 225.090143 161.2
[M+K]+ 246.019478 146.9
[M+H-H2O]+ 190.053580 136.0
[M+HCOO]- 252.054521 161.5
[M+CH3COO]- 266.070171 155.9
[M+Na-2H]- 228.030986 148.0
[M]+ 207.05577142 142.1
[M]- 207.05686858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.