CID 12730856

Methyl 2-methoxy-3-oxobutanoate

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(=O)C(C(=O)OC)OC
InChI
InChI=1S/C6H10O4/c1-4(7)5(9-2)6(8)10-3/h5H,1-3H3
InChIKey
FIUDIMKYHJYCKY-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

146.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 127.6
[M+Na]+ 169.047118 134.8
[M-H]- 145.050624 128.2
[M+NH4]+ 164.091723 148.9
[M+K]+ 185.021058 136.7
[M+H-H2O]+ 129.055160 123.1
[M+HCOO]- 191.056101 149.9
[M+CH3COO]- 205.071751 175.2
[M+Na-2H]- 167.032566 131.2
[M]+ 146.05735142 131.4
[M]- 146.05844858 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

No literature data available for this compound.

Patent stripe

patents stripe