CID 10730105

1-heptyl-3-methylimidazolium bromide

Structural Information

Molecular Formula
C11H21N2
SMILES
CCCCCCCN1C=C[N+](=C1)C
InChI
InChI=1S/C11H21N2/c1-3-4-5-6-7-8-13-10-9-12(2)11-13/h9-11H,3-8H2,1-2H3/q+1
InChIKey
FCZZZYZIQDHCIW-UHFFFAOYSA-N
Compound name
1-heptyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

696
Patents

181.17047 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.17775 144.3
[M+Na]+ 204.15969 151.8
[M-H]- 180.16319 145.1
[M+NH4]+ 199.20429 163.6
[M+K]+ 220.13363 144.3
[M+H-H2O]+ 164.16773 139.7
[M+HCOO]- 226.16867 166.1
[M+CH3COO]- 240.18432 177.8
[M+Na-2H]- 202.14514 150.7
[M]+ 181.16992 145.8
[M]- 181.17102 145.8
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