CID 5280519

(r)-2-ethylmalate

Structural Information

Molecular Formula
C6H10O5
SMILES
CC[C@@](CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1
InChIKey
YVYGHRNLPUMVBU-ZCFIWIBFSA-N
Compound name
(2R)-2-ethyl-2-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 132.6
[M+Na]+ 185.04205 139.2
[M+NH4]+ 180.08665 136.9
[M+K]+ 201.01599 138.6
[M-H]- 161.04555 127.3
[M+Na-2H]- 183.02750 132.5
[M]+ 162.05228 131.4
[M]- 162.05338 131.4
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