CID 18524876

C-chroman-6-yl-methylamine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC2=C(C=CC(=C2)CN)OC1

InChI

InChI=1S/C10H13NO/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7,11H2

InChIKey

IVHMTTRMDOTDKZ-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-chromen-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 163.09972 Da
Monoisotopic Mass: 1.1
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]+	164.10700	132.8
[M+Na]+	186.08894	139.4
[M-H]-	162.09244	137.2
[M+NH4]+	181.13354	152.8
[M+K]+	202.06288	137.9
[M+H-H2O]+	146.09698	126.8
[M+HCOO]-	208.09792	153.9
[M+CH3COO]-	222.11357	179.7
[M+Na-2H]-	184.07439	141.3
[M]+	163.09917	129.8
[M]-	163.10027	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe