CID 3006677

1-(2-hydroxyethoxymethyl)imidazole-4,5-dicarbonitrile

Structural Information

Molecular Formula
C8H8N4O2
SMILES
C1=NC(=C(N1COCCO)C#N)C#N
InChI
InChI=1S/C8H8N4O2/c9-3-7-8(4-10)12(5-11-7)6-14-2-1-13/h5,13H,1-2,6H2
InChIKey
GZWGQLFMMCGHMP-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

192.06473 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 144.3
[M+Na]+ 215.05395 153.6
[M-H]- 191.05745 144.4
[M+NH4]+ 210.09855 155.7
[M+K]+ 231.02789 151.9
[M+H-H2O]+ 175.06199 127.4
[M+HCOO]- 237.06293 155.5
[M+CH3COO]- 251.07858 213.3
[M+Na-2H]- 213.03940 146.4
[M]+ 192.06418 137.6
[M]- 192.06528 137.6
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.