CID 55266208

2-[4-(1h-imidazol-1-yl)phenyl]acetonitrile

Structural Information

Molecular Formula
C11H9N3
SMILES
C1=CC(=CC=C1CC#N)N2C=CN=C2
InChI
InChI=1S/C11H9N3/c12-6-5-10-1-3-11(4-2-10)14-8-7-13-9-14/h1-4,7-9H,5H2
InChIKey
AOZFOGBVCGZTHH-UHFFFAOYSA-N
Compound name
2-(4-imidazol-1-ylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.3
[M+Na]+ 206.06887 155.7
[M+NH4]+ 201.11347 147.4
[M+K]+ 222.04281 146.7
[M-H]- 182.07237 137.9
[M+Na-2H]- 204.05432 148.4
[M]+ 183.07910 142.1
[M]- 183.08020 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.