CID 19691455

3-(fluoromethyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₁FN₂

SMILES

C1CNCC1(CF)N

InChI

InChI=1S/C5H11FN2/c6-3-5(7)1-2-8-4-5/h8H,1-4,7H2

InChIKey

NUVZFMCZBRTWDU-UHFFFAOYSA-N

Compound name

3-(fluoromethyl)pyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 118.09063 Da
Monoisotopic Mass: -0.8
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]+	119.09791	122.9
[M+Na]+	141.07985	130.6
[M+NH4]+	136.12445	132.0
[M+K]+	157.05379	125.7
[M-H]-	117.08335	122.2
[M+Na-2H]-	139.06530	128.0
[M]+	118.09008	123.5
[M]-	118.09118	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe