CID 2734168

98892-75-2

Structural Information

Molecular Formula

C₉H₁₇N₂

SMILES

CCCCN1C=C[N+](=C1C)C

InChI

InChI=1S/C9H17N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-8H,4-6H2,1-3H3/q+1

InChIKey

XUAXVBUVQVRIIQ-UHFFFAOYSA-N

Compound name

1-butyl-2,3-dimethylimidazol-3-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 33
References: 4622
Patents: 153.13918 Da
Monoisotopic Mass: 1.7
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]+	154.14646	132.6
[M+Na]+	176.12840	147.0
[M+NH4]+	171.17300	142.1
[M+K]+	192.10234	142.6
[M-H]-	152.13190	135.3
[M+Na-2H]-	174.11385	139.3
[M]+	153.13863	135.8
[M]-	153.13973	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe