CID 15005384

4-(2-methyl-1h-imidazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H9N3
SMILES
CC1=NC=CN1C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H9N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,1H3
InChIKey
FAMJRKMLLLJOGZ-UHFFFAOYSA-N
Compound name
4-(2-methylimidazol-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

183.07965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.086926 138.8
[M+Na]+ 206.068868 150.1
[M-H]- 182.072374 141.7
[M+NH4]+ 201.113473 155.6
[M+K]+ 222.042808 145.4
[M+H-H2O]+ 166.076910 123.8
[M+HCOO]- 228.077851 158.3
[M+CH3COO]- 242.093501 150.7
[M+Na-2H]- 204.054316 143.8
[M]+ 183.07910142 133.8
[M]- 183.08019858 133.8
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