CID 131343482

5-benzyl-1-methyl-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C12H12N2O
SMILES
CN1C(=CN=C1C=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c1-14-11(8-13-12(14)9-15)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKey
DJNSCKULDIBAPW-UHFFFAOYSA-N
Compound name
5-benzyl-1-methylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 142.7
[M+Na]+ 223.084178 152.4
[M-H]- 199.087684 147.3
[M+NH4]+ 218.128783 161.3
[M+K]+ 239.058118 148.8
[M+H-H2O]+ 183.092220 134.7
[M+HCOO]- 245.093161 166.4
[M+CH3COO]- 259.108811 184.7
[M+Na-2H]- 221.069626 147.9
[M]+ 200.09441142 144.5
[M]- 200.09550858 144.5
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.