CID 300693

3-methoxy-2-methyl-3-oxopropanoic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
CC(C(=O)O)C(=O)OC
InChI
InChI=1S/C5H8O4/c1-3(4(6)7)5(8)9-2/h3H,1-2H3,(H,6,7)
InChIKey
LROWQPBZDXWPJW-UHFFFAOYSA-N
Compound name
3-methoxy-2-methyl-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

132.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 123.9
[M+Na]+ 155.03147 131.1
[M-H]- 131.03497 123.3
[M+NH4]+ 150.07607 145.1
[M+K]+ 171.00541 132.3
[M+H-H2O]+ 115.03951 119.8
[M+HCOO]- 177.04045 145.0
[M+CH3COO]- 191.05610 169.6
[M+Na-2H]- 153.01692 127.4
[M]+ 132.04170 125.4
[M]- 132.04280 125.4
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