CID 3042832

Chroman-3-yl-methylamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CNC1CC2=CC=CC=C2OC1

InChI

InChI=1S/C10H13NO/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,11H,6-7H2,1H3

InChIKey

HXWYLYMFMGGCFE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 163.09972 Da
Monoisotopic Mass: 1.6
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]+	164.10700	133.3
[M+Na]+	186.08894	146.4
[M+NH4]+	181.13354	143.5
[M+K]+	202.06288	139.2
[M-H]-	162.09244	138.7
[M+Na-2H]-	184.07439	140.2
[M]+	163.09917	136.7
[M]-	163.10027	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe