CID 131343482

2092746-30-8

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]+ 201.10224 142.7
[M+Na]+ 223.08418 152.4
[M-H]- 199.08768 147.3
[M+NH4]+ 218.12878 161.3
[M+K]+ 239.05812 148.8
[M+H-H2O]+ 183.09222 134.7
[M+HCOO]- 245.09316 166.4
[M+CH3COO]- 259.10881 184.7
[M+Na-2H]- 221.06963 147.9
[M]+ 200.09441 144.5
[M]- 200.09551 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.