CID 72213220

Ethyl 2-chloro-1h-imidazole-5-carboxylate

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
CCOC(=O)C1=CN=C(N1)Cl
InChI
InChI=1S/C6H7ClN2O2/c1-2-11-5(10)4-3-8-6(7)9-4/h3H,2H2,1H3,(H,8,9)
InChIKey
CJGBKXHTHPXYPP-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.0196 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02688 132.5
[M+Na]+ 197.00882 142.3
[M-H]- 173.01232 132.4
[M+NH4]+ 192.05342 152.1
[M+K]+ 212.98276 139.3
[M+H-H2O]+ 157.01686 126.5
[M+HCOO]- 219.01780 149.6
[M+CH3COO]- 233.03345 173.4
[M+Na-2H]- 194.99427 137.0
[M]+ 174.01905 134.6
[M]- 174.02015 134.6
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