CID 81791

7338-27-4

Structural Information

Molecular Formula
C6H8O4
SMILES
COC(=O)CC(=C)C(=O)O
InChI
InChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)
InChIKey
OIYTYGOUZOARSH-UHFFFAOYSA-N
Compound name
4-methoxy-2-methylidene-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11917
Patents

144.04225 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 129.1
[M+Na]+ 167.03147 137.3
[M+NH4]+ 162.07607 134.6
[M+K]+ 183.00541 135.0
[M-H]- 143.03497 125.7
[M+Na-2H]- 165.01692 130.3
[M]+ 144.04170 128.7
[M]- 144.04280 128.7
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