CID 4724224

1158359-45-5

Structural Information

Molecular Formula

C₁₀H₁₀FN

SMILES

C#CCNCC1=CC=C(C=C1)F

InChI

InChI=1S/C10H10FN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,12H,7-8H2

InChIKey

ZFPBOTMQBZSPNT-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]prop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 163.07973 Da
Monoisotopic Mass: 1.5
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]+	164.08701	133.1
[M+Na]+	186.06895	142.8
[M-H]-	162.07245	133.9
[M+NH4]+	181.11355	151.3
[M+K]+	202.04289	138.4
[M+H-H2O]+	146.07699	120.6
[M+HCOO]-	208.07793	151.5
[M+CH3COO]-	222.09358	189.5
[M+Na-2H]-	184.05440	138.8
[M]+	163.07918	126.0
[M]-	163.08028	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe