CID 425440

2-methoxy-2-oxoacetic acid

Structural Information

Molecular Formula
C3H4O4
SMILES
COC(=O)C(=O)O
InChI
InChI=1S/C3H4O4/c1-7-3(6)2(4)5/h1H3,(H,4,5)
InChIKey
CPKISUMKCULUNR-UHFFFAOYSA-N
Compound name
2-methoxy-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

675
Patents

104.010956 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.01823 116.8
[M+Na]+ 127.00017 125.9
[M+NH4]+ 122.04478 123.2
[M+K]+ 142.97411 123.5
[M-H]- 103.00368 114.0
[M+Na-2H]- 124.98562 119.2
[M]+ 104.01041 116.8
[M]- 104.01150 116.8
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