CID 16244405

747390-79-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC=CC2=C1OCCC2N

InChI

InChI=1S/C10H13NO2/c1-12-9-4-2-3-7-8(11)5-6-13-10(7)9/h2-4,8H,5-6,11H2,1H3

InChIKey

YPYXECSRHOYDPH-UHFFFAOYSA-N

Compound name

8-methoxy-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 179.09464 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]+	180.101916	136.1
[M+Na]+	202.083858	143.6
[M-H]-	178.087364	140.9
[M+NH4]+	197.128463	155.7
[M+K]+	218.057798	142.7
[M+H-H2O]+	162.091900	130.1
[M+HCOO]-	224.092841	157.4
[M+CH3COO]-	238.108491	183.0
[M+Na-2H]-	200.069306	143.9
[M]+	179.09409142	134.9
[M]-	179.09518858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe