CID 19079360

1955558-04-9

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

C1CC2=C(C=CC(=C2)F)OC1CN

InChI

InChI=1S/C10H12FNO/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h2,4-5,9H,1,3,6,12H2

InChIKey

IYPVOSGPLOGNNR-UHFFFAOYSA-N

Compound name

(6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 181.09029 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]+	182.097566	136.1
[M+Na]+	204.079508	143.7
[M-H]-	180.083014	139.4
[M+NH4]+	199.124113	155.6
[M+K]+	220.053448	141.8
[M+H-H2O]+	164.087550	129.3
[M+HCOO]-	226.088491	156.0
[M+CH3COO]-	240.104141	183.5
[M+Na-2H]-	202.064956	143.2
[M]+	181.08974142	132.3
[M]-	181.09083858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe