CID 6454608

2-(2-methoxy-2-oxoethoxy)acetic acid

Structural Information

Molecular Formula
C5H8O5
SMILES
COC(=O)COCC(=O)O
InChI
InChI=1S/C5H8O5/c1-9-5(8)3-10-2-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
DQPDAFDEASYJKB-UHFFFAOYSA-N
Compound name
2-(2-methoxy-2-oxoethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

137
Patents

148.03717 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.044446 126.5
[M+Na]+ 171.026388 133.7
[M-H]- 147.029894 125.6
[M+NH4]+ 166.070993 146.9
[M+K]+ 187.000328 135.0
[M+H-H2O]+ 131.034430 121.9
[M+HCOO]- 193.035371 148.7
[M+CH3COO]- 207.051021 170.8
[M+Na-2H]- 169.011836 131.2
[M]+ 148.03662142 130.0
[M]- 148.03771858 130.0
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