CID 2773326

2-chloro-1-ethoxymethylimidazole

Structural Information

Molecular Formula

C₆H₉ClN₂O

SMILES

CCOCN1C=CN=C1Cl

InChI

InChI=1S/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3

InChIKey

DONYAQVHLUVENE-UHFFFAOYSA-N

Compound name

2-chloro-1-(ethoxymethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.04034 Da
Monoisotopic Mass: 1.2
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]+	161.047616	129.8
[M+Na]+	183.029558	140.0
[M-H]-	159.033064	130.7
[M+NH4]+	178.074163	150.8
[M+K]+	199.003498	137.6
[M+H-H2O]+	143.037600	123.4
[M+HCOO]-	205.038541	148.9
[M+CH3COO]-	219.054191	174.8
[M+Na-2H]-	181.015006	135.9
[M]+	160.03979142	133.7
[M]-	160.04088858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe