CID 21657110

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

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
CN1C=NC(=C1Cl)C=O
InChI
InChI=1S/C5H5ClN2O/c1-8-3-7-4(2-9)5(8)6/h2-3H,1H3
InChIKey
WVQIJHXXCYUAHY-UHFFFAOYSA-N
Compound name
5-chloro-1-methylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

144.00903 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 123.7
[M+Na]+ 166.99825 135.6
[M-H]- 143.00175 125.3
[M+NH4]+ 162.04285 145.6
[M+K]+ 182.97219 132.8
[M+H-H2O]+ 127.00629 118.0
[M+HCOO]- 189.00723 143.4
[M+CH3COO]- 203.02288 172.0
[M+Na-2H]- 164.98370 129.7
[M]+ 144.00848 127.0
[M]- 144.00958 127.0
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