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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.02688	132.7
[M+Na]+	197.00882	144.1
[M+NH4]+	192.05342	139.7
[M+K]+	212.98276	140.9
[M-H]-	173.01232	131.5
[M+Na-2H]-	194.99427	137.2
[M]+	174.01905	133.9
[M]-	174.02015	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe