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

19
Patents

146.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 127.6
[M+Na]+ 169.04712 134.8
[M-H]- 145.05062 128.2
[M+NH4]+ 164.09172 148.9
[M+K]+ 185.02106 136.7
[M+H-H2O]+ 129.05516 123.1
[M+HCOO]- 191.05610 149.9
[M+CH3COO]- 205.07175 175.2
[M+Na-2H]- 167.03257 131.2
[M]+ 146.05735 131.4
[M]- 146.05845 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