CID 10043

Neurine

Structural Information

Molecular Formula

C₅H₁₂N

SMILES

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

InChI

InChI=1S/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1

InChIKey

PPJWCUOWPVSSSW-UHFFFAOYSA-N

Compound name

ethenyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 954
Patents: 86.09698 Da
Monoisotopic Mass: 0.8
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]+	87.104256	114.2
[M+Na]+	109.08620	127.4
[M+NH4]+	104.13080	124.7
[M+K]+	125.06014	122.3
[M-H]-	85.089704	117.0
[M+Na-2H]-	107.07165	121.2
[M]+	86.096431	117.3
[M]-	86.097529	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe