CID 11948311

4-(pyrrolidin-1-yl)butan-2-amine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CC(CCN1CCCC1)N

InChI

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

InChIKey

IZHXOIVNOIKRLP-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	135.0
[M+Na]+	165.13622	139.5
[M-H]-	141.13972	135.8
[M+NH4]+	160.18082	156.1
[M+K]+	181.11016	138.6
[M+H-H2O]+	125.14426	128.3
[M+HCOO]-	187.14520	155.7
[M+CH3COO]-	201.16085	176.8
[M+Na-2H]-	163.12167	137.3
[M]+	142.14645	130.3
[M]-	142.14755	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe