CID 2825855

93591-70-9

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CN(C)CCC(=O)C1=CC2=C(C=C1)OCCC2

InChI

InChI=1S/C14H19NO2/c1-15(2)8-7-13(16)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10H,3-4,7-9H2,1-2H3

InChIKey

YGIRMIQXWODLPW-UHFFFAOYSA-N

Compound name

1-(3,4-dihydro-2H-chromen-6-yl)-3-(dimethylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 233.14159 Da
Monoisotopic Mass: 1.9
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]+	234.148866	153.8
[M+Na]+	256.130808	158.7
[M-H]-	232.134314	159.4
[M+NH4]+	251.175413	171.5
[M+K]+	272.104748	158.4
[M+H-H2O]+	216.138850	146.7
[M+HCOO]-	278.139791	173.9
[M+CH3COO]-	292.155441	198.1
[M+Na-2H]-	254.116256	159.1
[M]+	233.14104142	154.4
[M]-	233.14213858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe