CID 2734228

1-dodecyl-3-methyl-1h-imidazol-3-ium chloride

Structural Information

Molecular Formula
C16H31N2
SMILES
CCCCCCCCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C16H31N2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18/h14-16H,3-13H2,1-2H3/q+1
InChIKey
ILQHIGIKULUQFQ-UHFFFAOYSA-N
Compound name
1-dodecyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

2695
Patents

251.24872 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.25600 167.6
[M+Na]+ 274.23794 173.0
[M-H]- 250.24144 167.5
[M+NH4]+ 269.28254 184.1
[M+K]+ 290.21188 164.1
[M+H-H2O]+ 234.24598 161.9
[M+HCOO]- 296.24692 187.7
[M+CH3COO]- 310.26257 192.8
[M+Na-2H]- 272.22339 171.3
[M]+ 251.24817 170.9
[M]- 251.24927 170.9
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