CID 10285815

Dimethyl l-malate

Structural Information

Molecular Formula
C6H10O5
SMILES
COC(=O)C[C@@H](C(=O)OC)O
InChI
InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1
InChIKey
YSEKNCXYRGKTBJ-BYPYZUCNSA-N
Compound name
dimethyl (2S)-2-hydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

299
Patents

162.05283 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 131.4
[M+Na]+ 185.04205 138.1
[M-H]- 161.04555 130.5
[M+NH4]+ 180.08665 151.3
[M+K]+ 201.01599 139.6
[M+H-H2O]+ 145.05009 126.8
[M+HCOO]- 207.05103 152.4
[M+CH3COO]- 221.06668 174.0
[M+Na-2H]- 183.02750 134.4
[M]+ 162.05228 134.6
[M]- 162.05338 134.6
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