CID 10203113

1-(3,4-dihydro-2h-1-benzopyran-2-yl)methanamine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC2=CC=CC=C2O[C@H]1CN

InChI

InChI=1S/C10H13NO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7,11H2/t9-/m1/s1

InChIKey

BSRHATGBRQMDRF-SECBINFHSA-N

Compound name

[(2R)-3,4-dihydro-2H-chromen-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 715
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.106996	132.8
[M+Na]+	186.088938	139.4
[M-H]-	162.092444	137.2
[M+NH4]+	181.133543	152.8
[M+K]+	202.062878	137.9
[M+H-H2O]+	146.096980	126.8
[M+HCOO]-	208.097921	153.9
[M+CH3COO]-	222.113571	179.7
[M+Na-2H]-	184.074386	141.3
[M]+	163.09917142	129.8
[M]-	163.10026858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe