CID 10017027

1-methyl-3-nonylimidazolium bromide

Structural Information

Molecular Formula

C₁₃H₂₅N₂

SMILES

CCCCCCCCCN1C=C[N+](=C1)C

InChI

InChI=1S/C13H25N2/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)13-15/h11-13H,3-10H2,1-2H3/q+1

InChIKey

FRDMOHWOUFAYLD-UHFFFAOYSA-N

Compound name

1-methyl-3-nonylimidazol-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 531
Patents: 209.20177 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.209046	153.7
[M+Na]+	232.190988	160.3
[M-H]-	208.194494	154.1
[M+NH4]+	227.235593	171.9
[M+K]+	248.164928	152.3
[M+H-H2O]+	192.199030	148.6
[M+HCOO]-	254.199971	174.8
[M+CH3COO]-	268.215621	183.8
[M+Na-2H]-	230.176436	159.0
[M]+	209.20122142	155.9
[M]-	209.20231858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe