CID 96929

Coumarin 2

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CCNC1=CC2=C(C=C1C)C(=CC(=O)O2)C

InChI

InChI=1S/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3

InChIKey

QZXAEJGHNXJTSE-UHFFFAOYSA-N

Compound name

7-(ethylamino)-4,6-dimethylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1944
Patents: 217.11028 Da
Monoisotopic Mass: 2.5
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]+	218.11756	146.3
[M+Na]+	240.09950	161.3
[M+NH4]+	235.14410	155.3
[M+K]+	256.07344	154.1
[M-H]-	216.10300	151.4
[M+Na-2H]-	238.08495	153.0
[M]+	217.10973	150.1
[M]-	217.11083	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe