CID 25187471

Tert-butyl 4,4-dimethyl-2-oxocyclopentane-1-carboxylate

Structural Information

Molecular Formula
C12H20O3
SMILES
CC1(CC(C(=O)C1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H20O3/c1-11(2,3)15-10(14)8-6-12(4,5)7-9(8)13/h8H,6-7H2,1-5H3
InChIKey
CJTBPCDVSFOXPD-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-dimethyl-2-oxocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 146.7
[M+Na]+ 235.13047 154.4
[M-H]- 211.13397 150.6
[M+NH4]+ 230.17507 169.9
[M+K]+ 251.10441 153.8
[M+H-H2O]+ 195.13851 143.6
[M+HCOO]- 257.13945 166.7
[M+CH3COO]- 271.15510 187.2
[M+Na-2H]- 233.11592 149.4
[M]+ 212.14070 148.4
[M]- 212.14180 148.4
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.