CID 2734232

1-hexadecyl-3-methylimidazolium chloride

Structural Information

Molecular Formula
C20H39N2
SMILES
CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C20H39N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22/h18-20H,3-17H2,1-2H3/q+1
InChIKey
DCLKMMFVIGOXQN-UHFFFAOYSA-N
Compound name
1-hexadecyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

1726
Patents

307.3113 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.31858 186.0
[M+Na]+ 330.30052 189.5
[M-H]- 306.30402 185.0
[M+NH4]+ 325.34512 200.1
[M+K]+ 346.27446 179.6
[M+H-H2O]+ 290.30856 179.4
[M+HCOO]- 352.30950 204.6
[M+CH3COO]- 366.32515 204.7
[M+Na-2H]- 328.28597 187.4
[M]+ 307.31075 190.7
[M]- 307.31185 190.7
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