CID 54062883

Tert-butyl 3,3-dimethyl-5-oxopentanoate

Structural Information

Molecular Formula
C11H20O3
SMILES
CC(C)(C)OC(=O)CC(C)(C)CC=O
InChI
InChI=1S/C11H20O3/c1-10(2,3)14-9(13)8-11(4,5)6-7-12/h7H,6,8H2,1-5H3
InChIKey
NOIPJKVGBZVCLD-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-dimethyl-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.14125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 146.4
[M+Na]+ 223.13047 153.0
[M-H]- 199.13397 146.7
[M+NH4]+ 218.17507 166.1
[M+K]+ 239.10441 153.1
[M+H-H2O]+ 183.13851 142.5
[M+HCOO]- 245.13945 165.7
[M+CH3COO]- 259.15510 186.6
[M+Na-2H]- 221.11592 151.5
[M]+ 200.14070 150.9
[M]- 200.14180 150.9
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

patents stripe