CID 122439

Diethylpyrrolidinium bromide

Structural Information

Molecular Formula

C₈H₁₈N

SMILES

CC[N+]1(CCCC1)CC

InChI

InChI=1S/C8H18N/c1-3-9(4-2)7-5-6-8-9/h3-8H2,1-2H3/q+1

InChIKey

PWZSCBSKFVJMJH-UHFFFAOYSA-N

Compound name

1,1-diethylpyrrolidin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1426
Patents: 128.14392 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]+	129.15120	127.4
[M+Na]+	151.13314	133.9
[M-H]-	127.13664	129.4
[M+NH4]+	146.17774	151.9
[M+K]+	167.10708	127.8
[M+H-H2O]+	111.14118	125.0
[M+HCOO]-	173.14212	148.4
[M+CH3COO]-	187.15777	165.3
[M+Na-2H]-	149.11859	135.3
[M]+	128.14337	123.8
[M]-	128.14447	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe