CID 545106

Methyl 3-methyl-2-oxopentanoate

Structural Information

Molecular Formula
C7H12O3
SMILES
CCC(C)C(=O)C(=O)OC
InChI
InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3
InChIKey
ZPSBJVARKCHQDF-UHFFFAOYSA-N
Compound name
methyl 3-methyl-2-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

64
Patents

144.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.7
[M+Na]+ 167.06786 139.8
[M+NH4]+ 162.11246 137.4
[M+K]+ 183.04180 136.5
[M-H]- 143.07136 128.7
[M+Na-2H]- 165.05331 132.9
[M]+ 144.07809 131.1
[M]- 144.07919 131.1
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

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