CID 112265

69227-51-6

Structural Information

Molecular Formula

C₇H₁₆N

SMILES

CC[N+]1(CCCC1)C

InChI

InChI=1S/C7H16N/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3/q+1

InChIKey

NIHOUJYFWMURBG-UHFFFAOYSA-N

Compound name

1-ethyl-1-methylpyrrolidin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 4577
Patents: 114.12827 Da
Monoisotopic Mass: 1.1
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]+	115.13555	122.7
[M+Na]+	137.11749	129.7
[M-H]-	113.12099	124.9
[M+NH4]+	132.16209	147.8
[M+K]+	153.09143	123.8
[M+H-H2O]+	97.125530	120.6
[M+HCOO]-	159.12647	144.1
[M+CH3COO]-	173.14212	162.3
[M+Na-2H]-	135.10294	131.1
[M]+	114.12772	118.8
[M]-	114.12882	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe