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
2
Annotation Hits

0
References

1839
Patents

144.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.6
[M+Na]+ 167.067858 136.5
[M-H]- 143.071364 130.1
[M+NH4]+ 162.112463 151.1
[M+K]+ 183.041798 137.6
[M+H-H2O]+ 127.075900 125.2
[M+HCOO]- 189.076841 151.3
[M+CH3COO]- 203.092491 176.2
[M+Na-2H]- 165.053306 132.6
[M]+ 144.07809142 132.3
[M]- 144.07918858 132.3
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