CID 161351

1-octylimidazole

Structural Information

Molecular Formula
C11H20N2
SMILES
CCCCCCCCN1C=CN=C1
InChI
InChI=1S/C11H20N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h8,10-11H,2-7,9H2,1H3
InChIKey
KLMZKZJCMDOKFE-UHFFFAOYSA-N
Compound name
1-octylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1057
Patents

180.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.16992 143.8
[M+Na]+ 203.15186 150.3
[M-H]- 179.15536 143.8
[M+NH4]+ 198.19646 163.0
[M+K]+ 219.12580 148.1
[M+H-H2O]+ 163.15990 135.9
[M+HCOO]- 225.16084 165.8
[M+CH3COO]- 239.17649 183.1
[M+Na-2H]- 201.13731 148.5
[M]+ 180.16209 146.2
[M]- 180.16319 146.2
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