CID 2759969

Methyl 4-methyl-3-oxopentanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1758
Patents

144.07864 Da
Monoisotopic Mass

1.0
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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