CID 2734230

1-tetradecyl-3-methylimidazolium

Structural Information

Molecular Formula
C18H35N2
SMILES
CCCCCCCCCCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1
InChIKey
BMKLRPQTYXVGNK-UHFFFAOYSA-N
Compound name
1-methyl-3-tetradecylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1641
Patents

279.28003 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.28731 176.8
[M+Na]+ 302.26925 181.3
[M-H]- 278.27275 176.3
[M+NH4]+ 297.31385 192.1
[M+K]+ 318.24319 171.9
[M+H-H2O]+ 262.27729 170.7
[M+HCOO]- 324.27823 196.2
[M+CH3COO]- 338.29388 198.8
[M+Na-2H]- 300.25470 179.4
[M]+ 279.27948 180.8
[M]- 279.28058 180.8
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