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

46
Patents

146.0579 Da
Monoisotopic Mass

-0.2
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

No literature data available for this compound.

Patent stripe

patents stripe