CID 131750805

5-(3',5')-dihydroxyphenyl-gamma-valerolactone

Structural Information

Molecular Formula
C11H14O4
SMILES
C1CC(OC1CC2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C11H14O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10-14H,1-2,5H2
InChIKey
NYNURYJSLOFNTQ-UHFFFAOYSA-N
Compound name
5-[(5-hydroxyoxolan-2-yl)methyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.0892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.7
[M+Na]+ 233.07842 155.3
[M+NH4]+ 228.12302 151.9
[M+K]+ 249.05236 153.0
[M-H]- 209.08192 147.4
[M+Na-2H]- 231.06387 148.7
[M]+ 210.08865 146.7
[M]- 210.08975 146.7
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.