CID 2734162

1-butyl-3-methylimidazolium chloride

Structural Information

Molecular Formula
C8H15N2
SMILES
CCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1
InChIKey
IQQRAVYLUAZUGX-UHFFFAOYSA-N
Compound name
1-butyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

836
References

31549
Patents

139.12352 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.13080 130.1
[M+Na]+ 162.11274 138.9
[M-H]- 138.11624 131.5
[M+NH4]+ 157.15734 151.1
[M+K]+ 178.08668 132.3
[M+H-H2O]+ 122.12078 126.1
[M+HCOO]- 184.12172 152.9
[M+CH3COO]- 198.13737 168.7
[M+Na-2H]- 160.09819 138.2
[M]+ 139.12297 130.5
[M]- 139.12407 130.5
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