CID 68872

Giparmen

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC#C

InChI

InChI=1S/C13H10O3/c1-3-6-15-10-4-5-11-9(2)7-13(14)16-12(11)8-10/h1,4-5,7-8H,6H2,2H3

InChIKey

NTNZDKLXIBVSQQ-UHFFFAOYSA-N

Compound name

4-methyl-7-prop-2-ynoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 41
Patents: 214.06299 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]+	215.07027	144.6
[M+Na]+	237.05221	159.4
[M+NH4]+	232.09681	149.7
[M+K]+	253.02615	149.5
[M-H]-	213.05571	140.3
[M+Na-2H]-	235.03766	148.2
[M]+	214.06244	144.9
[M]-	214.06354	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe