CID 45791598

4-chloro-1-ethyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
CCN1C=NC(=C1C=O)Cl
InChI
InChI=1S/C6H7ClN2O/c1-2-9-4-8-6(7)5(9)3-10/h3-4H,2H2,1H3
InChIKey
FMKPOSZJMVKQCA-UHFFFAOYSA-N
Compound name
5-chloro-3-ethylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

158.02469 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 128.4
[M+Na]+ 181.01391 139.9
[M-H]- 157.01741 129.8
[M+NH4]+ 176.05851 149.8
[M+K]+ 196.98785 136.8
[M+H-H2O]+ 141.02195 122.5
[M+HCOO]- 203.02289 147.7
[M+CH3COO]- 217.03854 175.0
[M+Na-2H]- 178.99936 133.8
[M]+ 158.02414 132.0
[M]- 158.02524 132.0
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