CID 70262

2-ethyl-4-methylimidazole

Structural Information

Molecular Formula
C6H10N2
SMILES
CCC1=NC=C(N1)C
InChI
InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey
ULKLGIFJWFIQFF-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

66109
Patents

110.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 121.4
[M+Na]+ 133.073618 130.6
[M-H]- 109.077124 121.3
[M+NH4]+ 128.118223 143.0
[M+K]+ 149.047558 128.8
[M+H-H2O]+ 93.081660 115.2
[M+HCOO]- 155.082601 143.5
[M+CH3COO]- 169.098251 166.3
[M+Na-2H]- 131.059066 127.6
[M]+ 110.08385142 120.4
[M]- 110.08494858 120.4
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