CID 55264014

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

144.00903 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.016306 123.7
[M+Na]+ 166.998248 135.6
[M-H]- 143.001754 125.3
[M+NH4]+ 162.042853 145.6
[M+K]+ 182.972188 132.8
[M+H-H2O]+ 127.006290 118.0
[M+HCOO]- 189.007231 143.4
[M+CH3COO]- 203.022881 172.0
[M+Na-2H]- 164.983696 129.7
[M]+ 144.00848142 127.0
[M]- 144.00957858 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