CID 409

63551-14-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C[N+]1(CCCC1C2=CN=CC=C2)[O-]

InChI

InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3

InChIKey

RWFBQHICRCUQJJ-UHFFFAOYSA-N

Compound name

3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 37
References: 701
Patents: 178.11061 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]+	179.11789	136.9
[M+Na]+	201.09983	144.1
[M-H]-	177.10333	139.6
[M+NH4]+	196.14443	157.0
[M+K]+	217.07377	136.9
[M+H-H2O]+	161.10787	134.4
[M+HCOO]-	223.10881	157.1
[M+CH3COO]-	237.12446	169.2
[M+Na-2H]-	199.08528	144.4
[M]+	178.11006	131.3
[M]-	178.11116	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe