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

28793
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.