CID 2821735

63199-45-1

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CN(C)CC1COC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H15NO2/c1-13(2)7-9-8-15-11-6-4-3-5-10(11)12(9)14/h3-6,9H,7-8H2,1-2H3

InChIKey

OVRQFVONVIPSQQ-UHFFFAOYSA-N

Compound name

3-[(dimethylamino)methyl]-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 18
Patents: 205.11028 Da
Monoisotopic Mass: 1.4
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]+	206.117556	143.7
[M+Na]+	228.099498	150.7
[M-H]-	204.103004	150.0
[M+NH4]+	223.144103	163.0
[M+K]+	244.073438	150.4
[M+H-H2O]+	188.107540	137.1
[M+HCOO]-	250.108481	165.5
[M+CH3COO]-	264.124131	192.3
[M+Na-2H]-	226.084946	150.7
[M]+	205.10973142	144.6
[M]-	205.11082858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe