CID 2734226

1-decyl-3-methylimidazolium chloride

Structural Information

Molecular Formula
C14H27N2
SMILES
CCCCCCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C14H27N2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16/h12-14H,3-11H2,1-2H3/q+1
InChIKey
LDVVBLGHGCHZBJ-UHFFFAOYSA-N
Compound name
1-decyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

3239
Patents

223.21742 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.22470 158.4
[M+Na]+ 246.20664 164.6
[M-H]- 222.21014 158.6
[M+NH4]+ 241.25124 176.0
[M+K]+ 262.18058 156.3
[M+H-H2O]+ 206.21468 153.1
[M+HCOO]- 268.21562 179.1
[M+CH3COO]- 282.23127 186.8
[M+Na-2H]- 244.19209 163.1
[M]+ 223.21687 160.9
[M]- 223.21797 160.9
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