CID 21911987

2411275-30-2

Structural Information

Molecular Formula

C₇H₁₅FN₂

SMILES

CC(CN1CCNCC1)F

InChI

InChI=1S/C7H15FN2/c1-7(8)6-10-4-2-9-3-5-10/h7,9H,2-6H2,1H3

InChIKey

CVECILHIRQWXEZ-UHFFFAOYSA-N

Compound name

1-(2-fluoropropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 146.12193 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]+	147.12921	133.5
[M+Na]+	169.11115	138.0
[M-H]-	145.11465	130.5
[M+NH4]+	164.15575	151.1
[M+K]+	185.08509	136.3
[M+H-H2O]+	129.11919	125.6
[M+HCOO]-	191.12013	148.1
[M+CH3COO]-	205.13578	172.7
[M+Na-2H]-	167.09660	137.4
[M]+	146.12138	125.7
[M]-	146.12248	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe