CID 2734224

1-methyl-3-octylimidazolium chloride

Structural Information

Molecular Formula
C12H23N2
SMILES
CCCCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C12H23N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-12H,3-9H2,1-2H3/q+1
InChIKey
WXMVWUBWIHZLMQ-UHFFFAOYSA-N
Compound name
1-methyl-3-octylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

126
References

7381
Patents

195.18613 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.19341 149.0
[M+Na]+ 218.17535 156.1
[M-H]- 194.17885 149.6
[M+NH4]+ 213.21995 167.8
[M+K]+ 234.14929 148.3
[M+H-H2O]+ 178.18339 144.2
[M+HCOO]- 240.18433 170.5
[M+CH3COO]- 254.19998 180.8
[M+Na-2H]- 216.16080 154.9
[M]+ 195.18558 150.9
[M]- 195.18668 150.9
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