CID 6439606

Alpha-(fluoromethyl)dehydroputrescine

Structural Information

Molecular Formula

C₅H₁₁FN₂

SMILES

C(/C=C/C(CF)N)N

InChI

InChI=1S/C5H11FN2/c6-4-5(8)2-1-3-7/h1-2,5H,3-4,7-8H2/b2-1+

InChIKey

WHCJZNLLRJRMHI-OWOJBTEDSA-N

Compound name

(E)-5-fluoropent-2-ene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 13
Patents: 118.09063 Da
Monoisotopic Mass: -1.0
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	124.6
[M+Na]+	141.079848	130.7
[M-H]-	117.083354	122.6
[M+NH4]+	136.124453	146.0
[M+K]+	157.053788	129.4
[M+H-H2O]+	101.087890	118.7
[M+HCOO]-	163.088831	147.6
[M+CH3COO]-	177.104481	174.4
[M+Na-2H]-	139.065296	128.6
[M]+	118.09008142	119.1
[M]-	118.09117858	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe