CID 3006672

2-[(4,5-dicyanoimidazol-1-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C10H10N4O3
SMILES
CC(=O)OCCOCN1C=NC(=C1C#N)C#N
InChI
InChI=1S/C10H10N4O3/c1-8(15)17-3-2-16-7-14-6-13-9(4-11)10(14)5-12/h6H,2-3,7H2,1H3
InChIKey
IUGLKLHPTDLHIS-UHFFFAOYSA-N
Compound name
2-[(4,5-dicyanoimidazol-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.07529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08257 151.8
[M+Na]+ 257.06451 160.7
[M-H]- 233.06801 152.5
[M+NH4]+ 252.10911 162.4
[M+K]+ 273.03845 159.4
[M+H-H2O]+ 217.07255 134.4
[M+HCOO]- 279.07349 163.1
[M+CH3COO]- 293.08914 219.7
[M+Na-2H]- 255.04996 152.7
[M]+ 234.07474 146.6
[M]- 234.07584 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.