CID 44389277

5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone

Structural Information

Molecular Formula

C₁₁H₁₂O₅

SMILES

C1CC(=O)OC1CC2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2

InChIKey

CZVAQLJEUUFQCH-UHFFFAOYSA-N

Compound name

5-[(3,4,5-trihydroxyphenyl)methyl]oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 53
Patents: 224.06847 Da
Monoisotopic Mass: 1.1
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]+	225.07575	146.8
[M+Na]+	247.05769	157.3
[M+NH4]+	242.10229	153.2
[M+K]+	263.03163	155.7
[M-H]-	223.06119	148.8
[M+Na-2H]-	245.04314	150.0
[M]+	224.06792	148.5
[M]-	224.06902	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe