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: 4
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]+	119.09791	123.3
[M+Na]+	141.07985	130.6
[M+NH4]+	136.12445	130.2
[M+K]+	157.05379	126.0
[M-H]-	117.08335	122.0
[M+Na-2H]-	139.06530	125.9
[M]+	118.09008	123.4
[M]-	118.09118	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe