CID 11701055

Methyl 2-(2-oxopropoxy)acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

146.0579 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 127.7
[M+Na]+ 169.047118 135.1
[M-H]- 145.050624 128.2
[M+NH4]+ 164.091723 149.1
[M+K]+ 185.021058 136.5
[M+H-H2O]+ 129.055160 123.1
[M+HCOO]- 191.056101 151.0
[M+CH3COO]- 205.071751 174.3
[M+Na-2H]- 167.032566 132.5
[M]+ 146.05735142 132.1
[M]- 146.05844858 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

No literature data available for this compound.

Patent stripe

patents stripe