CID 11401006

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

169.064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.071276 136.2
[M+Na]+ 192.053218 146.8
[M-H]- 168.056724 137.7
[M+NH4]+ 187.097823 152.6
[M+K]+ 208.027158 141.4
[M+H-H2O]+ 152.061260 121.4
[M+HCOO]- 214.062201 154.7
[M+CH3COO]- 228.077851 147.6
[M+Na-2H]- 190.038666 141.9
[M]+ 169.06345142 129.0
[M]- 169.06454858 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