CID 89173

22041-31-2

Structural Information

Molecular Formula

C₉H₁₈NO₂

SMILES

C[N+]1(CCCC1)CCC(=O)OC

InChI

InChI=1S/C9H18NO2/c1-10(6-3-4-7-10)8-5-9(11)12-2/h3-8H2,1-2H3/q+1

InChIKey

HNNAFKCDUNPKRO-UHFFFAOYSA-N

Compound name

methyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 172.13376 Da
Monoisotopic Mass: 0.6
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]+	173.14104	138.5
[M+Na]+	195.12298	149.6
[M+NH4]+	190.16758	148.8
[M+K]+	211.09692	144.7
[M-H]-	171.12648	140.2
[M+Na-2H]-	193.10843	144.5
[M]+	172.13321	140.8
[M]-	172.13431	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe