CID 2734166

1-ethyl-2,3-dimethylimidazolium chloride

Structural Information

Molecular Formula
C7H13N2
SMILES
CCN1C=C[N+](=C1C)C
InChI
InChI=1S/C7H13N2/c1-4-9-6-5-8(3)7(9)2/h5-6H,4H2,1-3H3/q+1
InChIKey
IRGDPGYNHSIIJJ-UHFFFAOYSA-N
Compound name
1-ethyl-2,3-dimethylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4636
Patents

125.10787 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.11515 124.6
[M+Na]+ 148.09709 134.8
[M-H]- 124.10059 126.6
[M+NH4]+ 143.14169 146.5
[M+K]+ 164.07103 128.4
[M+H-H2O]+ 108.10513 121.2
[M+HCOO]- 170.10607 147.8
[M+CH3COO]- 184.12172 166.7
[M+Na-2H]- 146.08254 132.7
[M]+ 125.10732 125.0
[M]- 125.10842 125.0
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