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

24
Patents

196.03717 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.044446 136.1
[M+Na]+ 219.026388 143.8
[M-H]- 195.029894 139.5
[M+NH4]+ 214.070993 152.4
[M+K]+ 235.000328 144.3
[M+H-H2O]+ 179.034430 130.6
[M+HCOO]- 241.035371 153.0
[M+CH3COO]- 255.051021 177.7
[M+Na-2H]- 217.011836 144.0
[M]+ 196.03662142 136.3
[M]- 196.03771858 136.3
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