CID 118764

Einecs 252-339-0

Structural Information

Molecular Formula
C15H28N2
SMILES
CCCCCCCCCCCC1=NC=C(N1)C
InChI
InChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14(2)17-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKey
JQEVCCUJHLRAEY-UHFFFAOYSA-N
Compound name
5-methyl-2-undecyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

236.22525 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.23253 162.3
[M+Na]+ 259.21447 167.5
[M-H]- 235.21797 160.5
[M+NH4]+ 254.25907 178.8
[M+K]+ 275.18841 163.4
[M+H-H2O]+ 219.22251 154.2
[M+HCOO]- 281.22345 181.4
[M+CH3COO]- 295.23910 193.4
[M+Na-2H]- 257.19992 163.6
[M]+ 236.22470 164.6
[M]- 236.22580 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe