CID 57899195

Methyl 3-methoxy-2-oxopropanoate

Structural Information

Molecular Formula
C5H8O4
SMILES
COCC(=O)C(=O)OC
InChI
InChI=1S/C5H8O4/c1-8-3-4(6)5(7)9-2/h3H2,1-2H3
InChIKey
ZFHKOSKYJHKEAP-UHFFFAOYSA-N
Compound name
methyl 3-methoxy-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

132.04225 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.049526 123.0
[M+Na]+ 155.031468 130.8
[M-H]- 131.034974 123.7
[M+NH4]+ 150.076073 144.9
[M+K]+ 171.005408 132.5
[M+H-H2O]+ 115.039510 118.5
[M+HCOO]- 177.040451 146.6
[M+CH3COO]- 191.056101 171.3
[M+Na-2H]- 153.016916 128.3
[M]+ 132.04170142 127.0
[M]- 132.04279858 127.0
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