CID 11693600

897661-66-4

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

C1CC2=C(C=CC(=C2)F)OC1C(CN)O

InChI

InChI=1S/C11H14FNO2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,9,11,14H,1,3,6,13H2

InChIKey

XEWOKAJCYBGRTK-UHFFFAOYSA-N

Compound name

2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 211.10086 Da
Monoisotopic Mass: 0.9
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]+	212.108136	144.9
[M+Na]+	234.090078	151.2
[M-H]-	210.093584	146.6
[M+NH4]+	229.134683	162.2
[M+K]+	250.064018	149.2
[M+H-H2O]+	194.098120	138.0
[M+HCOO]-	256.099061	162.1
[M+CH3COO]-	270.114711	187.2
[M+Na-2H]-	232.075526	149.7
[M]+	211.10031142	140.4
[M]-	211.10140858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe