CID 55176

83857-96-9

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
CCCCC1=NC(=C(N1)Cl)C=O
InChI
InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChIKey
JLVIHQCWASNXCK-UHFFFAOYSA-N
Compound name
2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

782
Patents

186.05598 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06326 138.5
[M+Na]+ 209.04520 148.7
[M-H]- 185.04870 138.2
[M+NH4]+ 204.08980 158.0
[M+K]+ 225.01914 144.1
[M+H-H2O]+ 169.05324 132.5
[M+HCOO]- 231.05418 155.7
[M+CH3COO]- 245.06983 178.4
[M+Na-2H]- 207.03065 142.3
[M]+ 186.05543 141.0
[M]- 186.05653 141.0
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

No patent data available for this compound.