CID 23005513

3-(pyrrolidin-1-yl)butan-1-amine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CC(CCN)N1CCCC1

InChI

InChI=1S/C8H18N2/c1-8(4-5-9)10-6-2-3-7-10/h8H,2-7,9H2,1H3

InChIKey

SPZQIRUEJFYSEQ-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 142.147 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]+	143.15428	134.1
[M+Na]+	165.13622	142.2
[M+NH4]+	160.18082	142.4
[M+K]+	181.11016	138.6
[M-H]-	141.13972	135.2
[M+Na-2H]-	163.12167	137.7
[M]+	142.14645	135.1
[M]-	142.14755	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe