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
2
Annotation Hits

25
References

101
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 143.6
[M+Na]+ 231.06278 154.8
[M+NH4]+ 226.10738 150.9
[M+K]+ 247.03672 152.1
[M-H]- 207.06628 146.6
[M+Na-2H]- 229.04823 148.0
[M]+ 208.07301 145.8
[M]- 208.07411 145.8
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