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

160
Patents

124.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.8
[M+Na]+ 147.052878 132.6
[M-H]- 123.056384 123.5
[M+NH4]+ 142.097483 143.8
[M+K]+ 163.026818 131.5
[M+H-H2O]+ 107.060920 115.6
[M+HCOO]- 169.061861 145.9
[M+CH3COO]- 183.077511 171.2
[M+Na-2H]- 145.038326 127.8
[M]+ 124.06311142 123.8
[M]- 124.06420858 123.8
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

patents stripe