CID 21098544

1439903-05-5

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

C1CC1(CC2=CC=C(C=C2)F)N

InChI

InChI=1S/C10H12FN/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4H,5-7,12H2

InChIKey

XPPLAXOXGSXQLH-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 165.09538 Da
Monoisotopic Mass: 1.7
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]+	166.10266	136.9
[M+Na]+	188.08460	149.9
[M+NH4]+	183.12920	147.7
[M+K]+	204.05854	142.8
[M-H]-	164.08810	146.9
[M+Na-2H]-	186.07005	148.4
[M]+	165.09483	142.8
[M]-	165.09593	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe