CID 2734164

1-hexyl-3-methylimidazolium chloride

Structural Information

Molecular Formula
C10H19N2
SMILES
CCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C10H19N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-10H,3-7H2,1-2H3/q+1
InChIKey
RVEJOWGVUQQIIZ-UHFFFAOYSA-N
Compound name
1-hexyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

76
References

11021
Patents

167.15483 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.16211 139.6
[M+Na]+ 190.14405 147.6
[M-H]- 166.14755 140.6
[M+NH4]+ 185.18865 159.5
[M+K]+ 206.11799 140.3
[M+H-H2O]+ 150.15209 135.2
[M+HCOO]- 212.15303 161.7
[M+CH3COO]- 226.16868 174.7
[M+Na-2H]- 188.12950 146.6
[M]+ 167.15428 140.7
[M]- 167.15538 140.7
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