CID 163408225

(2,3,4,6-tetrahydroxyphenyl) hydrogen carbonate

Structural Information

Molecular Formula
C7H6O7
SMILES
C1=C(C(=C(C(=C1O)OC(=O)O)O)O)O
InChI
InChI=1S/C7H6O7/c8-2-1-3(9)6(14-7(12)13)5(11)4(2)10/h1,8-11H,(H,12,13)
InChIKey
MPPWMCBIWQGKGQ-UHFFFAOYSA-N
Compound name
(2,3,4,6-tetrahydroxyphenyl) hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.01135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.018626 135.2
[M+Na]+ 225.000568 144.2
[M-H]- 201.004074 133.4
[M+NH4]+ 220.045173 151.2
[M+K]+ 240.974508 142.5
[M+H-H2O]+ 185.008610 130.4
[M+HCOO]- 247.009551 153.3
[M+CH3COO]- 261.025201 172.7
[M+Na-2H]- 222.986016 138.0
[M]+ 202.01080142 135.3
[M]- 202.01189858 135.3
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

No patent data available for this compound.