CID 5393149

5852-10-8

Structural Information

Molecular Formula

C₁₂H₁₀O₅

SMILES

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

InChI

InChI=1S/C12H10O5/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4,13H,5H2,1H3,(H,14,15)

InChIKey

OOGKDHCQSZAEQI-UHFFFAOYSA-N

Compound name

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 266
Patents: 234.05283 Da
Monoisotopic Mass: 0.9
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]+	235.06011	146.7
[M+Na]+	257.04205	160.2
[M+NH4]+	252.08665	153.4
[M+K]+	273.01599	155.9
[M-H]-	233.04555	148.5
[M+Na-2H]-	255.02750	150.8
[M]+	234.05228	149.0
[M]-	234.05338	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe