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

94
Patents

148.03717 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04445 128.1
[M+Na]+ 171.02639 136.4
[M+NH4]+ 166.07099 133.6
[M+K]+ 187.00033 134.1
[M-H]- 147.02989 124.7
[M+Na-2H]- 169.01184 129.6
[M]+ 148.03662 127.8
[M]- 148.03772 127.8
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