CID 123908

Hydroxycitric acid

Structural Information

Molecular Formula
C6H8O8
SMILES
C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKey
ZMJBYMUCKBYSCP-UHFFFAOYSA-N
Compound name
1,2-dihydroxypropane-1,2,3-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

275
References

8119
Patents

208.02191 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02919 137.5
[M+Na]+ 231.01113 142.2
[M-H]- 207.01463 130.9
[M+NH4]+ 226.05573 151.9
[M+K]+ 246.98507 142.5
[M+H-H2O]+ 191.01917 133.5
[M+HCOO]- 253.02011 150.5
[M+CH3COO]- 267.03576 173.4
[M+Na-2H]- 228.99658 138.3
[M]+ 208.02136 135.6
[M]- 208.02246 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe