CID 2736653

1-(chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate

Structural Information

Molecular Formula

C₉H₁₆ClN₂

SMILES

C1CCN(C1)C(=[N+]2CCCC2)Cl

InChI

InChI=1S/C9H16ClN2/c10-9(11-5-1-2-6-11)12-7-3-4-8-12/h1-8H2/q+1

InChIKey

GICWMYXNJAKKHK-UHFFFAOYSA-N

Compound name

1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 374
Patents: 187.1002 Da
Monoisotopic Mass: 1.5
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]+	188.10748	147.0
[M+Na]+	210.08942	151.9
[M-H]-	186.09292	149.7
[M+NH4]+	205.13402	167.2
[M+K]+	226.06336	143.6
[M+H-H2O]+	170.09746	141.8
[M+HCOO]-	232.09840	160.1
[M+CH3COO]-	246.11405	170.3
[M+Na-2H]-	208.07487	148.5
[M]+	187.09965	139.9
[M]-	187.10075	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe