CID 14967608

Tert-butyl 2-methyl-3-oxohexanoate

Structural Information

Molecular Formula
C11H20O3
SMILES
CCCC(=O)C(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H20O3/c1-6-7-9(12)8(2)10(13)14-11(3,4)5/h8H,6-7H2,1-5H3
InChIKey
GZHVJVJALJXSAU-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-3-oxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 146.8
[M+Na]+ 223.13047 152.6
[M-H]- 199.13397 147.0
[M+NH4]+ 218.17507 166.3
[M+K]+ 239.10441 153.2
[M+H-H2O]+ 183.13851 142.5
[M+HCOO]- 245.13945 165.8
[M+CH3COO]- 259.15510 187.9
[M+Na-2H]- 221.11592 148.6
[M]+ 200.14070 150.5
[M]- 200.14180 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.