CID 68595254

2219353-75-8

Structural Information

Molecular Formula

C₁₂H₁₄FNO

SMILES

C1CC2(C1)C[C@H](C3=C(O2)C=CC(=C3)F)N

InChI

InChI=1S/C12H14FNO/c13-8-2-3-11-9(6-8)10(14)7-12(15-11)4-1-5-12/h2-3,6,10H,1,4-5,7,14H2/t10-/m1/s1

InChIKey

IIJSMMZDAYZHBP-SNVBAGLBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 207.10594 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]+	208.113216	140.0
[M+Na]+	230.095158	146.9
[M-H]-	206.098664	145.5
[M+NH4]+	225.139763	154.3
[M+K]+	246.069098	147.6
[M+H-H2O]+	190.103200	128.3
[M+HCOO]-	252.104141	157.6
[M+CH3COO]-	266.119791	190.9
[M+Na-2H]-	228.080606	147.3
[M]+	207.10539142	143.9
[M]-	207.10648858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe