CID 92375

Schembl828962

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)(C)[N+](=O)C=C1C=CN(C=C1)[O-]

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3

InChIKey

RNRMWTCECDHNQU-UHFFFAOYSA-N

Compound name

tert-butyl-[(1-oxidopyridin-4-ylidene)methyl]-oxoazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 134
References: 400
Patents: 194.10553 Da
Monoisotopic Mass: 0.7
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]+	195.11281	142.5
[M+Na]+	217.09475	149.3
[M-H]-	193.09825	144.9
[M+NH4]+	212.13935	160.2
[M+K]+	233.06869	143.4
[M+H-H2O]+	177.10279	141.2
[M+HCOO]-	239.10373	164.0
[M+CH3COO]-	253.11938	177.6
[M+Na-2H]-	215.08020	150.7
[M]+	194.10498	139.8
[M]-	194.10608	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe