CID 21321828

865606-94-6

Structural Information

Molecular Formula

C₁₃H₂₅N₂

SMILES

CCCCCCCCN1C=C[N+](=C1C)C

InChI

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

InChIKey

JXKFTCYRLIOPQE-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3-octylimidazol-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 590
Patents: 209.20177 Da
Monoisotopic Mass: 3.9
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	153.1
[M+Na]+	232.190988	160.7
[M-H]-	208.194494	153.9
[M+NH4]+	227.235593	171.6
[M+K]+	248.164928	152.6
[M+H-H2O]+	192.199030	148.4
[M+HCOO]-	254.199971	174.2
[M+CH3COO]-	268.215621	184.8
[M+Na-2H]-	230.176436	157.8
[M]+	209.20122142	155.7
[M]-	209.20231858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe