CID 5245486

Ns00029948

Structural Information

Molecular Formula
C6H12N2
SMILES
CCN1CN(C=C1)C
InChI
InChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3
InChIKey
IBZJNLWLRUHZIX-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

186
References

14832
Patents

112.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 122.6
[M+Na]+ 135.089268 131.2
[M-H]- 111.092774 123.5
[M+NH4]+ 130.133873 144.8
[M+K]+ 151.063208 130.6
[M+H-H2O]+ 95.097310 116.1
[M+HCOO]- 157.098251 144.8
[M+CH3COO]- 171.113901 169.4
[M+Na-2H]- 133.074716 128.3
[M]+ 112.09950142 122.1
[M]- 112.10059858 122.1
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