CID 139082

1-benzyl-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1=CC=C(C=C1)CN2C=CN=C2C=O
InChI
InChI=1S/C11H10N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
AKFHFMMKMUJLBU-UHFFFAOYSA-N
Compound name
1-benzylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

186.07932 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 140.0
[M+Na]+ 209.06854 154.1
[M+NH4]+ 204.11314 148.4
[M+K]+ 225.04248 148.5
[M-H]- 185.07204 142.9
[M+Na-2H]- 207.05399 148.9
[M]+ 186.07877 142.8
[M]- 186.07987 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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