CID 9974117

1,5-dibutyl methyl hydroxycitrate

Structural Information

Molecular Formula
C15H26O8
SMILES
CCCCOC(=O)CC(C(C(=O)OCCCC)O)(C(=O)OC)O
InChI
InChI=1S/C15H26O8/c1-4-6-8-22-11(16)10-15(20,14(19)21-3)12(17)13(18)23-9-7-5-2/h12,17,20H,4-10H2,1-3H3
InChIKey
JRMBFEKUMNWOIE-UHFFFAOYSA-N
Compound name
1-O,3-O-dibutyl 2-O-methyl 1,2-dihydroxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.16278 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17006 176.2
[M+Na]+ 357.15200 179.5
[M+NH4]+ 352.19660 189.3
[M+K]+ 373.12594 183.5
[M-H]- 333.15550 181.9
[M+Na-2H]- 355.13745 172.5
[M]+ 334.16223 173.7
[M]- 334.16333 173.7
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

patents stripe