CID 78002

1-dodecyl-1h-imidazole

Structural Information

Molecular Formula
C15H28N2
SMILES
CCCCCCCCCCCCN1C=CN=C1
InChI
InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3
InChIKey
JMTFLSQHQSFNTE-UHFFFAOYSA-N
Compound name
1-dodecylimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

1016
Patents

236.22525 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.23253 162.0
[M+Na]+ 259.21447 172.2
[M+NH4]+ 254.25907 169.2
[M+K]+ 275.18841 165.4
[M-H]- 235.21797 162.4
[M+Na-2H]- 257.19992 166.2
[M]+ 236.22470 163.4
[M]- 236.22580 163.4
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