CID 62352055

4-(4,5-dimethyl-1h-imidazol-1-yl)benzaldehyde

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=C(N(C=N1)C2=CC=C(C=C2)C=O)C
InChI
InChI=1S/C12H12N2O/c1-9-10(2)14(8-13-9)12-5-3-11(7-15)4-6-12/h3-8H,1-2H3
InChIKey
YVFUEVFRJZNQTA-UHFFFAOYSA-N
Compound name
4-(4,5-dimethylimidazol-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 144.2
[M+Na]+ 223.08418 158.8
[M+NH4]+ 218.12878 152.3
[M+K]+ 239.05812 153.3
[M-H]- 199.08768 147.1
[M+Na-2H]- 221.06963 152.3
[M]+ 200.09441 147.1
[M]- 200.09551 147.1
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.