CID 13362727

3,4-dihydro-2h-1-benzopyran-4-ylmethanamine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1COC2=CC=CC=C2C1CN

InChI

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

InChIKey

XGFJPMBRXFFNAH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
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