CID 123500

Methyl 4-methoxyacetoacetate

Structural Information

Molecular Formula
C6H10O4
SMILES
COCC(=O)CC(=O)OC
InChI
InChI=1S/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3
InChIKey
QGBPKJFJAVDUNC-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1427
Patents

146.0579 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 127.7
[M+Na]+ 169.04712 135.1
[M-H]- 145.05062 128.2
[M+NH4]+ 164.09172 149.1
[M+K]+ 185.02106 136.5
[M+H-H2O]+ 129.05516 123.1
[M+HCOO]- 191.05610 151.0
[M+CH3COO]- 205.07175 174.3
[M+Na-2H]- 167.03257 132.5
[M]+ 146.05735 132.1
[M]- 146.05845 132.1
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