CID 18513318

1-hexyl-3-methylimidazole

Structural Information

Molecular Formula
C10H20N2
SMILES
CCCCCCN1CN(C=C1)C
InChI
InChI=1S/C10H20N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-9H,3-7,10H2,1-2H3
InChIKey
WGVGZVWOOMIJRK-UHFFFAOYSA-N
Compound name
1-hexyl-3-methyl-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

4799
Patents

168.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 141.0
[M+Na]+ 191.15186 147.8
[M-H]- 167.15536 141.2
[M+NH4]+ 186.19646 160.9
[M+K]+ 207.12580 146.2
[M+H-H2O]+ 151.15990 133.7
[M+HCOO]- 213.16084 161.9
[M+CH3COO]- 227.17649 181.5
[M+Na-2H]- 189.13731 144.5
[M]+ 168.16209 141.9
[M]- 168.16319 141.9
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