CID 379378

Tmio

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=NC([N+](=C1)[O-])(C)C

InChI

InChI=1S/C6H10N2O/c1-5-4-8(9)6(2,3)7-5/h4H,1-3H3

InChIKey

CNIGTNPXWSLRPH-UHFFFAOYSA-N

Compound name

2,2,4-trimethyl-1-oxidoimidazol-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 126.079315 Da
Monoisotopic Mass: -0.5
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]+	127.08659	123.3
[M+Na]+	149.06853	137.3
[M+NH4]+	144.11314	133.3
[M+K]+	165.04247	133.6
[M-H]-	125.07204	124.9
[M+Na-2H]-	147.05398	130.5
[M]+	126.07877	125.8
[M]-	126.07986	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe