CID 2734234

171058-19-8

Structural Information

Molecular Formula
C22H43N2
SMILES
CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C22H43N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24/h20-22H,3-19H2,1-2H3/q+1
InChIKey
MMJMYYUZGLJBST-UHFFFAOYSA-N
Compound name
1-methyl-3-octadecylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1060
Patents

335.34262 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.34990 195.0
[M+Na]+ 358.33184 197.7
[M-H]- 334.33534 193.7
[M+NH4]+ 353.37644 208.0
[M+K]+ 374.30578 187.3
[M+H-H2O]+ 318.33988 188.0
[M+HCOO]- 380.34082 213.0
[M+CH3COO]- 394.35647 210.7
[M+Na-2H]- 356.31729 195.4
[M]+ 335.34207 200.4
[M]- 335.34317 200.4
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