CID 87888

2-(2,2-diethoxyethyl)imidazole

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCOC(CC1=NC=CN1)OCC
InChI
InChI=1S/C9H16N2O2/c1-3-12-9(13-4-2)7-8-10-5-6-11-8/h5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKey
SEPXIBIESLXLJY-UHFFFAOYSA-N
Compound name
2-(2,2-diethoxyethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 141.9
[M+Na]+ 207.110408 148.4
[M-H]- 183.113914 141.0
[M+NH4]+ 202.155013 160.0
[M+K]+ 223.084348 147.2
[M+H-H2O]+ 167.118450 134.4
[M+HCOO]- 229.119391 162.5
[M+CH3COO]- 243.135041 179.0
[M+Na-2H]- 205.095856 145.9
[M]+ 184.12064142 143.8
[M]- 184.12173858 143.8
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

No patent data available for this compound.