CID 163408246

(2,3,6-trihydroxyphenyl) hydrogen carbonate

Structural Information

Molecular Formula
C7H6O6
SMILES
C1=CC(=C(C(=C1O)O)OC(=O)O)O
InChI
InChI=1S/C7H6O6/c8-3-1-2-4(9)6(5(3)10)13-7(11)12/h1-2,8-10H,(H,11,12)
InChIKey
SLLKGOCZACATGP-UHFFFAOYSA-N
Compound name
(2,3,6-trihydroxyphenyl) hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.01643 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.023706 132.4
[M+Na]+ 209.005648 141.3
[M-H]- 185.009154 131.8
[M+NH4]+ 204.050253 149.7
[M+K]+ 224.979588 139.7
[M+H-H2O]+ 169.013690 127.7
[M+HCOO]- 231.014631 152.0
[M+CH3COO]- 245.030281 171.1
[M+Na-2H]- 206.991096 136.5
[M]+ 186.01588142 132.6
[M]- 186.01697858 132.6
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.