CID 66130

2-ethylimidazole

Structural Information

Molecular Formula
C5H8N2
SMILES
CCC1=NC=CN1
InChI
InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey
PQAMFDRRWURCFQ-UHFFFAOYSA-N
Compound name
2-ethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

25619
Patents

96.06875 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 117.6
[M+Na]+ 119.05797 129.3
[M+NH4]+ 114.10257 126.1
[M+K]+ 135.03191 125.2
[M-H]- 95.061474 117.9
[M+Na-2H]- 117.04342 124.0
[M]+ 96.068201 119.2
[M]- 96.069299 119.2
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

patents stripe