CID 24692843

3-[(2-methyl-1h-imidazol-1-yl)methyl]benzonitrile

Structural Information

Molecular Formula
C12H11N3
SMILES
CC1=NC=CN1CC2=CC(=CC=C2)C#N
InChI
InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3
InChIKey
HMXUYPBDUYSWMA-UHFFFAOYSA-N
Compound name
3-[(2-methylimidazol-1-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09529 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 142.7
[M+Na]+ 220.08451 153.7
[M-H]- 196.08801 145.5
[M+NH4]+ 215.12911 159.0
[M+K]+ 236.05845 148.7
[M+H-H2O]+ 180.09255 127.5
[M+HCOO]- 242.09349 161.9
[M+CH3COO]- 256.10914 154.3
[M+Na-2H]- 218.06996 147.2
[M]+ 197.09474 138.1
[M]- 197.09584 138.1
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.