CID 10725811

4-(1h-imidazol-4-yl)benzonitrile

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC(=CC=C1C#N)C2=CN=CN2
InChI
InChI=1S/C10H7N3/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H,(H,12,13)
InChIKey
IGUVSJNPHFWESU-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-5-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

169.064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 136.2
[M+Na]+ 192.05322 146.8
[M-H]- 168.05672 137.7
[M+NH4]+ 187.09782 152.6
[M+K]+ 208.02716 141.4
[M+H-H2O]+ 152.06126 121.4
[M+HCOO]- 214.06220 154.7
[M+CH3COO]- 228.07785 147.6
[M+Na-2H]- 190.03867 141.9
[M]+ 169.06345 129.0
[M]- 169.06455 129.0
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

patents stripe