CID 5252043

139143-09-2

Structural Information

Molecular Formula

C₉H₁₇N₂

SMILES

CC(C)N1C=C[N+](=C1)C(C)C

InChI

InChI=1S/C9H17N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-9H,1-4H3/q+1

InChIKey

FYPVBTXELDUXDV-UHFFFAOYSA-N

Compound name

1,3-di(propan-2-yl)imidazol-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 605
Patents: 153.13918 Da
Monoisotopic Mass: 1.5
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	134.8
[M+Na]+	176.12840	142.7
[M-H]-	152.13190	136.3
[M+NH4]+	171.17300	155.1
[M+K]+	192.10234	136.6
[M+H-H2O]+	136.13644	130.9
[M+HCOO]-	198.13738	155.3
[M+CH3COO]-	212.15303	173.1
[M+Na-2H]-	174.11385	140.0
[M]+	153.13863	134.2
[M]-	153.13973	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe