CID 138040377

2243501-38-2

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1COC2=C([C@H]1O)C=C(C=C2)O

InChI

InChI=1S/C9H10O3/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,10-11H,3-4H2/t8-/m0/s1

InChIKey

DEIXNYIUQLLDBS-QMMMGPOBSA-N

Compound name

(4S)-3,4-dihydro-2H-chromene-4,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.06299 Da
Monoisotopic Mass: 0.8
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]+	167.070266	130.6
[M+Na]+	189.052208	138.5
[M-H]-	165.055714	133.4
[M+NH4]+	184.096813	149.9
[M+K]+	205.026148	137.0
[M+H-H2O]+	149.060250	125.6
[M+HCOO]-	211.061191	149.0
[M+CH3COO]-	225.076841	172.7
[M+Na-2H]-	187.037656	138.8
[M]+	166.06244142	128.6
[M]-	166.06353858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.