CID 97868

Diisobutyl 2,3-dihydroxysuccinate

Structural Information

Molecular Formula
C12H22O6
SMILES
CC(C)COC(=O)C(C(C(=O)OCC(C)C)O)O
InChI
InChI=1S/C12H22O6/c1-7(2)5-17-11(15)9(13)10(14)12(16)18-6-8(3)4/h7-10,13-14H,5-6H2,1-4H3
InChIKey
ONZOGXRINCURBP-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) 2,3-dihydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

262.14163 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14891 160.8
[M+Na]+ 285.13085 165.2
[M+NH4]+ 280.17545 163.6
[M+K]+ 301.10479 165.6
[M-H]- 261.13435 155.1
[M+Na-2H]- 283.11630 158.0
[M]+ 262.14108 159.0
[M]- 262.14218 159.0
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

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