CID 14075474

99724-18-2

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CCN(CC)CC1CCNC1

InChI

InChI=1S/C9H20N2/c1-3-11(4-2)8-9-5-6-10-7-9/h9-10H,3-8H2,1-2H3

InChIKey

HOIFYAYAOLSLBR-UHFFFAOYSA-N

Compound name

N-ethyl-N-(pyrrolidin-3-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 156.16264 Da
Monoisotopic Mass: 1.0
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]+	157.16992	139.2
[M+Na]+	179.15186	143.2
[M-H]-	155.15536	140.4
[M+NH4]+	174.19646	160.1
[M+K]+	195.12580	142.5
[M+H-H2O]+	139.15990	132.3
[M+HCOO]-	201.16084	160.2
[M+CH3COO]-	215.17649	180.5
[M+Na-2H]-	177.13731	142.0
[M]+	156.16209	136.0
[M]-	156.16319	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe