CID 28811725

6-methyl-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CC1=CC2=C(C=C1)OCC(=C2)C(=O)O

InChI

InChI=1S/C11H10O3/c1-7-2-3-10-8(4-7)5-9(6-14-10)11(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey

IOBSSLHZLHJYAQ-UHFFFAOYSA-N

Compound name

6-methyl-2H-chromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.06299 Da
Monoisotopic Mass: 1.9
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]+	191.07027	137.6
[M+Na]+	213.05221	151.2
[M+NH4]+	208.09681	146.3
[M+K]+	229.02615	145.6
[M-H]-	189.05571	141.0
[M+Na-2H]-	211.03766	143.2
[M]+	190.06244	140.4
[M]-	190.06354	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe