CID 20763703

1782470-60-3

Structural Information

Molecular Formula

C₅H₁₁FN₂

SMILES

CN1CC(C(C1)F)N

InChI

InChI=1S/C5H11FN2/c1-8-2-4(6)5(7)3-8/h4-5H,2-3,7H2,1H3

InChIKey

BXRXWVXIHLMZJR-UHFFFAOYSA-N

Compound name

4-fluoro-1-methylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 118.09063 Da
Monoisotopic Mass: -0.4
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]+	119.097906	122.2
[M+Na]+	141.079848	130.2
[M-H]-	117.083354	122.8
[M+NH4]+	136.124453	145.0
[M+K]+	157.053788	129.1
[M+H-H2O]+	101.087890	115.7
[M+HCOO]-	163.088831	143.9
[M+CH3COO]-	177.104481	171.8
[M+Na-2H]-	139.065296	125.5
[M]+	118.09008142	116.7
[M]-	118.09117858	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe