CID 5459971

(r)-3-[(r)-3-hydroxybutanoyloxy]butanoate

Structural Information

Molecular Formula
C8H14O5
SMILES
C[C@H](CC(=O)O[C@H](C)CC(=O)O)O
InChI
InChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChIKey
RILHUWWTCSDPAN-PHDIDXHHSA-N
Compound name
(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

190.08412 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09140 141.4
[M+Na]+ 213.07334 146.6
[M-H]- 189.07684 138.8
[M+NH4]+ 208.11794 159.3
[M+K]+ 229.04728 147.2
[M+H-H2O]+ 173.08138 136.7
[M+HCOO]- 235.08232 159.2
[M+CH3COO]- 249.09797 179.2
[M+Na-2H]- 211.05879 141.4
[M]+ 190.08357 142.8
[M]- 190.08467 142.8
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.