CID 24275255

(1-butylpyrrolidin-3-yl)methanamine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CCCCN1CCC(C1)CN

InChI

InChI=1S/C9H20N2/c1-2-3-5-11-6-4-9(7-10)8-11/h9H,2-8,10H2,1H3

InChIKey

ZWQDCCSMHQUNBC-UHFFFAOYSA-N

Compound name

(1-butylpyrrolidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
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]+	157.169916	138.4
[M+Na]+	179.151858	143.7
[M-H]-	155.155364	139.4
[M+NH4]+	174.196463	159.4
[M+K]+	195.125798	142.1
[M+H-H2O]+	139.159900	131.8
[M+HCOO]-	201.160841	159.8
[M+CH3COO]-	215.176491	180.1
[M+Na-2H]-	177.137306	140.8
[M]+	156.16209142	135.2
[M]-	156.16318858	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe