CID 13925570

4-methoxy-3-methyl-4-oxobutanoic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(CC(=O)O)C(=O)OC
InChI
InChI=1S/C6H10O4/c1-4(3-5(7)8)6(9)10-2/h4H,3H2,1-2H3,(H,7,8)
InChIKey
QEZMQNIFDRNSJZ-UHFFFAOYSA-N
Compound name
4-methoxy-3-methyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

146.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 129.8
[M+Na]+ 169.04712 138.0
[M+NH4]+ 164.09172 135.6
[M+K]+ 185.02106 135.7
[M-H]- 145.05062 126.6
[M+Na-2H]- 167.03257 131.1
[M]+ 146.05735 129.5
[M]- 146.05845 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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