CID 2795884

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

432
Patents

138.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.5
[M+Na]+ 161.06854 137.5
[M-H]- 137.07204 127.7
[M+NH4]+ 156.11314 148.2
[M+K]+ 177.04248 135.2
[M+H-H2O]+ 121.07658 121.4
[M+HCOO]- 183.07752 149.8
[M+CH3COO]- 197.09317 171.5
[M+Na-2H]- 159.05399 132.5
[M]+ 138.07877 128.1
[M]- 138.07987 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

literature stripe

Patent stripe

patents stripe