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

29
Patents

224.06847 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 145.3
[M+Na]+ 247.05769 153.4
[M-H]- 223.06119 149.5
[M+NH4]+ 242.10229 162.3
[M+K]+ 263.03163 151.3
[M+H-H2O]+ 207.06573 140.2
[M+HCOO]- 269.06667 164.3
[M+CH3COO]- 283.08232 180.7
[M+Na-2H]- 245.04314 147.7
[M]+ 224.06792 144.5
[M]- 224.06902 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.