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

22
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 136.1
[M+Na]+ 219.02639 143.8
[M-H]- 195.02989 139.5
[M+NH4]+ 214.07099 152.4
[M+K]+ 235.00033 144.3
[M+H-H2O]+ 179.03443 130.6
[M+HCOO]- 241.03537 153.0
[M+CH3COO]- 255.05102 177.7
[M+Na-2H]- 217.01184 144.0
[M]+ 196.03662 136.3
[M]- 196.03772 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