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

3
Patents

200.14125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 146.4
[M+Na]+ 223.130468 153.0
[M-H]- 199.133974 146.7
[M+NH4]+ 218.175073 166.1
[M+K]+ 239.104408 153.1
[M+H-H2O]+ 183.138510 142.5
[M+HCOO]- 245.139451 165.7
[M+CH3COO]- 259.155101 186.6
[M+Na-2H]- 221.115916 151.5
[M]+ 200.14070142 150.9
[M]- 200.14179858 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