CID 152432

21618-92-8

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

63
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.