CID 43512619

6-bromo-n-methyl-3,4-dihydro-2h-1-benzopyran-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

CNC1CCOC2=C1C=C(C=C2)Br

InChI

InChI=1S/C10H12BrNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12H,4-5H2,1H3

InChIKey

CDYBISOIWYTNHD-UHFFFAOYSA-N

Compound name

6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.01022 Da
Monoisotopic Mass: 2.1
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]+	242.017496	145.7
[M+Na]+	263.999438	155.9
[M-H]-	240.002944	153.1
[M+NH4]+	259.044043	166.5
[M+K]+	279.973378	146.0
[M+H-H2O]+	224.007480	145.4
[M+HCOO]-	286.008421	164.7
[M+CH3COO]-	300.024071	191.4
[M+Na-2H]-	261.984886	154.8
[M]+	241.00967142	162.6
[M]-	241.01076858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe