CID 25200437

(2r,3s)-2,3-dimethylmalate(2-)

Structural Information

Molecular Formula
C6H10O5
SMILES
C[C@H](C(=O)O)[C@@](C)(C(=O)O)O
InChI
InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/t3-,6+/m1/s1
InChIKey
WTIIULQJLZEHGZ-CVYQJGLWSA-N
Compound name
(2S,3S)-2-hydroxy-2,3-dimethylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

417
Patents

162.05283 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 132.5
[M+Na]+ 185.04205 138.7
[M+NH4]+ 180.08665 136.7
[M+K]+ 201.01599 139.0
[M-H]- 161.04555 127.0
[M+Na-2H]- 183.02750 132.0
[M]+ 162.05228 131.2
[M]- 162.05338 131.2
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.