CID 21321822

1-octyl-3-methyl imidazole

Structural Information

Molecular Formula
C12H24N2
SMILES
CCCCCCCCN1CN(C=C1)C
InChI
InChI=1S/C12H24N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-11H,3-9,12H2,1-2H3
InChIKey
KTUWFYALZIAAGE-UHFFFAOYSA-N
Compound name
1-methyl-3-octyl-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

52
References

3050
Patents

196.19395 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.20123 150.1
[M+Na]+ 219.18317 156.1
[M-H]- 195.18667 149.9
[M+NH4]+ 214.22777 168.9
[M+K]+ 235.15711 153.9
[M+H-H2O]+ 179.19121 142.3
[M+HCOO]- 241.19215 170.3
[M+CH3COO]- 255.20780 187.5
[M+Na-2H]- 217.16862 152.5
[M]+ 196.19340 151.8
[M]- 196.19450 151.8
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