CID 10899551

160657-99-8

Structural Information

Molecular Formula
C9H8O5
SMILES
C1C(OC2=C(O1)C=CC(=C2)O)C(=O)O
InChI
InChI=1S/C9H8O5/c10-5-1-2-6-7(3-5)14-8(4-13-6)9(11)12/h1-3,8,10H,4H2,(H,11,12)
InChIKey
UHFWGCAZLOZOPK-UHFFFAOYSA-N
Compound name
6-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

196.03717 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 137.0
[M+Na]+ 219.02639 148.9
[M+NH4]+ 214.07099 144.3
[M+K]+ 235.00033 145.6
[M-H]- 195.02989 140.0
[M+Na-2H]- 217.01184 140.2
[M]+ 196.03662 139.3
[M]- 196.03772 139.3
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

patents stripe