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: 42
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	143.9
[M+Na]+	237.05221	157.0
[M-H]-	213.05571	147.8
[M+NH4]+	232.09681	160.8
[M+K]+	253.02615	152.3
[M+H-H2O]+	197.06025	132.0
[M+HCOO]-	259.06119	161.3
[M+CH3COO]-	273.07684	195.4
[M+Na-2H]-	235.03766	150.7
[M]+	214.06244	142.8
[M]-	214.06354	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe