CID 14975128

99114-68-8

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CNCCCN1CCCC1

InChI

InChI=1S/C8H18N2/c1-9-5-4-8-10-6-2-3-7-10/h9H,2-8H2,1H3

InChIKey

PBKBNZLWSVHLAG-UHFFFAOYSA-N

Compound name

N-methyl-3-pyrrolidin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 142.147 Da
Monoisotopic Mass: 0.7
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]+	143.154276	133.7
[M+Na]+	165.136218	138.4
[M-H]-	141.139724	134.9
[M+NH4]+	160.180823	155.2
[M+K]+	181.110158	137.5
[M+H-H2O]+	125.144260	126.9
[M+HCOO]-	187.145201	156.1
[M+CH3COO]-	201.160851	176.7
[M+Na-2H]-	163.121666	138.4
[M]+	142.14645142	130.8
[M]-	142.14754858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe