CID 82599542

2-(3,4-dihydro-2h-1-benzopyran-7-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC2=C(C=C(C=C2)CCN)OC1

InChI

InChI=1S/C11H15NO/c12-6-5-9-3-4-10-2-1-7-13-11(10)8-9/h3-4,8H,1-2,5-7,12H2

InChIKey

CLTWDSCHZOWQGB-UHFFFAOYSA-N

Compound name

2-(3,4-dihydro-2H-chromen-7-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 177.11537 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]+	178.122646	137.5
[M+Na]+	200.104588	143.7
[M-H]-	176.108094	141.7
[M+NH4]+	195.149193	156.9
[M+K]+	216.078528	142.0
[M+H-H2O]+	160.112630	131.3
[M+HCOO]-	222.113571	158.2
[M+CH3COO]-	236.129221	182.7
[M+Na-2H]-	198.090036	145.5
[M]+	177.11482142	134.8
[M]-	177.11591858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe