CID 14731723

Dtxsid60563409

Structural Information

Molecular Formula

C₁₄H₁₄O₅

SMILES

C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2O)O

InChI

InChI=1S/C14H14O5/c15-11-6-2-1-5-10(11)9-19-13(17)14(18)8-4-3-7-12(14)16/h1-2,4-6,8,15,18H,3,7,9H2

InChIKey

WYYMYYOXCOEMCU-UHFFFAOYSA-N

Compound name

(2-hydroxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 8
Patents: 262.08414 Da
Monoisotopic Mass: 1.3
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]+	263.09142	157.9
[M+Na]+	285.07336	169.1
[M+NH4]+	280.11796	165.6
[M+K]+	301.04730	162.4
[M-H]-	261.07686	159.4
[M+Na-2H]-	283.05881	165.0
[M]+	262.08359	159.8
[M]-	262.08469	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe