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]+ 198.102566 142.7
[M+Na]+ 220.084508 153.7
[M-H]- 196.088014 145.5
[M+NH4]+ 215.129113 159.0
[M+K]+ 236.058448 148.7
[M+H-H2O]+ 180.092550 127.5
[M+HCOO]- 242.093491 161.9
[M+CH3COO]- 256.109141 154.3
[M+Na-2H]- 218.069956 147.2
[M]+ 197.09474142 138.1
[M]- 197.09583858 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.