CID 3041654

Brn 1250038

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCN(C)C

InChI

InChI=1S/C14H17NO3/c1-10-8-14(16)18-13-9-11(4-5-12(10)13)17-7-6-15(2)3/h4-5,8-9H,6-7H2,1-3H3

InChIKey

RXAYKJUYAHXQBL-UHFFFAOYSA-N

Compound name

7-[2-(dimethylamino)ethoxy]-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.12085 Da
Monoisotopic Mass: 2.3
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]+	248.12813	154.1
[M+Na]+	270.11007	163.1
[M-H]-	246.11357	161.2
[M+NH4]+	265.15467	172.1
[M+K]+	286.08401	162.7
[M+H-H2O]+	230.11811	147.0
[M+HCOO]-	292.11905	178.3
[M+CH3COO]-	306.13470	201.0
[M+Na-2H]-	268.09552	161.2
[M]+	247.12030	160.5
[M]-	247.12140	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe