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]+ 201.148526 146.8
[M+Na]+ 223.130468 152.6
[M-H]- 199.133974 147.0
[M+NH4]+ 218.175073 166.3
[M+K]+ 239.104408 153.2
[M+H-H2O]+ 183.138510 142.5
[M+HCOO]- 245.139451 165.8
[M+CH3COO]- 259.155101 187.9
[M+Na-2H]- 221.115916 148.6
[M]+ 200.14070142 150.5
[M]- 200.14179858 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.