CID 88903

85805-66-9

Structural Information

Molecular Formula

C₁₁H₁₇N₂

SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)C

InChI

InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1/t11-/m0/s1

InChIKey

HIOROZIUERMMRQ-NSHDSACASA-N

Compound name

1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 103
Patents: 177.13918 Da
Monoisotopic Mass: 1.3
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]+	178.146456	140.9
[M+Na]+	200.128398	148.5
[M-H]-	176.131904	145.1
[M+NH4]+	195.173003	160.1
[M+K]+	216.102338	140.5
[M+H-H2O]+	160.136440	135.8
[M+HCOO]-	222.137381	161.3
[M+CH3COO]-	236.153031	174.8
[M+Na-2H]-	198.113846	146.8
[M]+	177.13863142	137.4
[M]-	177.13972858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe