CID 176472545

2-[[2-carboxy-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-3-hydroxy-2-(hydroxymethyl)propanoic acid

Structural Information

Molecular Formula
C10H18O9
SMILES
C(C(CO)(COCC(CO)(CO)C(=O)O)C(=O)O)O
InChI
InChI=1S/C10H18O9/c11-1-9(2-12,7(15)16)5-19-6-10(3-13,4-14)8(17)18/h11-14H,1-6H2,(H,15,16)(H,17,18)
InChIKey
KOBFZCDOUMPUMR-UHFFFAOYSA-N
Compound name
2-[[2-carboxy-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-3-hydroxy-2-(hydroxymethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0951 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.102376 158.7
[M+Na]+ 305.084318 161.4
[M-H]- 281.087824 150.0
[M+NH4]+ 300.128923 169.5
[M+K]+ 321.058258 160.8
[M+H-H2O]+ 265.092360 154.2
[M+HCOO]- 327.093301 169.2
[M+CH3COO]- 341.108951 184.8
[M+Na-2H]- 303.069766 161.1
[M]+ 282.09455142 159.3
[M]- 282.09564858 159.3
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.