CID 92024228

Metatartaric acid

Structural Information

Molecular Formula
C8H8O10
SMILES
C1(C(=O)OC(C(=O)O1)C(C(=O)O)O)C(C(=O)O)O
InChI
InChI=1S/C8H8O10/c9-1(5(11)12)3-7(15)18-4(8(16)17-3)2(10)6(13)14/h1-4,9-10H,(H,11,12)(H,13,14)
InChIKey
KWBYTEOPKORPPY-UHFFFAOYSA-N
Compound name
2-[5-[carboxy(hydroxy)methyl]-3,6-dioxo-1,4-dioxan-2-yl]-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

264.01175 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01903 146.7
[M+Na]+ 287.00097 151.6
[M-H]- 263.00447 146.2
[M+NH4]+ 282.04557 157.0
[M+K]+ 302.97491 154.4
[M+H-H2O]+ 247.00901 141.2
[M+HCOO]- 309.00995 158.1
[M+CH3COO]- 323.02560 187.8
[M+Na-2H]- 284.98642 146.7
[M]+ 264.01120 146.4
[M]- 264.01230 146.4
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.