CID 24692916

3-((1h-imidazol-1-yl)methyl)benzonitrile

Structural Information

Molecular Formula
C11H9N3
SMILES
C1=CC(=CC(=C1)C#N)CN2C=CN=C2
InChI
InChI=1S/C11H9N3/c12-7-10-2-1-3-11(6-10)8-14-5-4-13-9-14/h1-6,9H,8H2
InChIKey
BTCQQQUDIZILEJ-UHFFFAOYSA-N
Compound name
3-(imidazol-1-ylmethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

183.07965 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08693 138.7
[M+Na]+ 206.06887 149.3
[M-H]- 182.07237 141.2
[M+NH4]+ 201.11347 155.2
[M+K]+ 222.04281 144.4
[M+H-H2O]+ 166.07691 123.4
[M+HCOO]- 228.07785 158.2
[M+CH3COO]- 242.09350 150.4
[M+Na-2H]- 204.05432 144.4
[M]+ 183.07910 133.4
[M]- 183.08020 133.4
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