CID 11137921

Methyl 2-(s)-acetoxy-3-carboxypropanoate

Structural Information

Molecular Formula
C7H10O6
SMILES
CC(=O)O[C@@H](CC(=O)O)C(=O)OC
InChI
InChI=1S/C7H10O6/c1-4(8)13-5(3-6(9)10)7(11)12-2/h5H,3H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKey
DQUIKZDAUFIOEL-YFKPBYRVSA-N
Compound name
(3S)-3-acetyloxy-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.04774 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05502 138.6
[M+Na]+ 213.03696 145.4
[M+NH4]+ 208.08156 142.7
[M+K]+ 229.01090 144.8
[M-H]- 189.04046 133.9
[M+Na-2H]- 211.02241 138.3
[M]+ 190.04719 137.5
[M]- 190.04829 137.5
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

patents stripe