CID 79002098

5-ethyl-4-methyl-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O
SMILES
CCC1=C(NC(=N1)C=O)C
InChI
InChI=1S/C7H10N2O/c1-3-6-5(2)8-7(4-10)9-6/h4H,3H2,1-2H3,(H,8,9)
InChIKey
MVURRWJVYZRJFH-UHFFFAOYSA-N
Compound name
4-ethyl-5-methyl-1H-imidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 127.5
[M+Na]+ 161.068538 137.5
[M-H]- 137.072044 127.7
[M+NH4]+ 156.113143 148.2
[M+K]+ 177.042478 135.2
[M+H-H2O]+ 121.076580 121.4
[M+HCOO]- 183.077521 149.8
[M+CH3COO]- 197.093171 171.5
[M+Na-2H]- 159.053986 132.5
[M]+ 138.07877142 128.1
[M]- 138.07986858 128.1
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

patents stripe