CID 152432

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

Structural Information

Molecular Formula
C11H12O4
SMILES
C1CC(=O)OC1CC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2
InChIKey
ZNXXWTPQHVLMQT-UHFFFAOYSA-N
Compound name
5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

103
Patents

208.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.3
[M+Na]+ 231.06278 150.1
[M-H]- 207.06628 147.5
[M+NH4]+ 226.10738 160.4
[M+K]+ 247.03672 148.2
[M+H-H2O]+ 191.07082 137.0
[M+HCOO]- 253.07176 162.7
[M+CH3COO]- 267.08741 179.5
[M+Na-2H]- 229.04823 145.6
[M]+ 208.07301 141.4
[M]- 208.07411 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe