CID 95933748

2225126-79-2

Structural Information

Molecular Formula

C₁₃H₁₆FNO

SMILES

C1CCC2(C1)C[C@H](C3=C(O2)C=CC(=C3)F)N

InChI

InChI=1S/C13H16FNO/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11H,1-2,5-6,8,15H2/t11-/m1/s1

InChIKey

AUNWIYCRCJHCCF-LLVKDONJSA-N

Compound name

(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.1216 Da
Monoisotopic Mass: 2.1
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]+	222.128876	147.5
[M+Na]+	244.110818	154.8
[M-H]-	220.114324	152.7
[M+NH4]+	239.155423	169.2
[M+K]+	260.084758	151.6
[M+H-H2O]+	204.118860	140.7
[M+HCOO]-	266.119801	165.7
[M+CH3COO]-	280.135451	159.8
[M+Na-2H]-	242.096266	152.3
[M]+	221.12105142	141.2
[M]-	221.12214858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.