CID 3159610

1,2-dimethyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=NC=C(N1C)C=O
InChI
InChI=1S/C6H8N2O/c1-5-7-3-6(4-9)8(5)2/h3-4H,1-2H3
InChIKey
XEMFQOKIINBGDI-UHFFFAOYSA-N
Compound name
2,3-dimethylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

124.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 123.8
[M+Na]+ 147.05288 136.2
[M+NH4]+ 142.09748 131.7
[M+K]+ 163.02682 132.4
[M-H]- 123.05638 124.0
[M+Na-2H]- 145.03833 129.5
[M]+ 124.06311 125.4
[M]- 124.06421 125.4
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

patents stripe