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]+	157.16992	138.4
[M+Na]+	179.15186	143.7
[M-H]-	155.15536	139.4
[M+NH4]+	174.19646	159.4
[M+K]+	195.12580	142.1
[M+H-H2O]+	139.15990	131.8
[M+HCOO]-	201.16084	159.8
[M+CH3COO]-	215.17649	180.1
[M+Na-2H]-	177.13731	140.8
[M]+	156.16209	135.2
[M]-	156.16319	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe