CID 54595383

7-methoxy-3,4-dihydro-2h-1-benzopyran-4-amine

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC2=C(C=C1)C(CCO2)N

InChI

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

InChIKey

RKCMZVXMWWKKAH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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]+	180.10192	136.1
[M+Na]+	202.08386	143.6
[M-H]-	178.08736	140.9
[M+NH4]+	197.12846	155.7
[M+K]+	218.05780	142.7
[M+H-H2O]+	162.09190	130.1
[M+HCOO]-	224.09284	157.4
[M+CH3COO]-	238.10849	183.0
[M+Na-2H]-	200.06931	143.9
[M]+	179.09409	134.9
[M]-	179.09519	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe