CID 154814244

2551117-50-9

Structural Information

Molecular Formula
C12H20O3
SMILES
CC1(CCC(C(=O)C1C(=O)OC)(C)C)C
InChI
InChI=1S/C12H20O3/c1-11(2)6-7-12(3,4)9(13)8(11)10(14)15-5/h8H,6-7H2,1-5H3
InChIKey
BYOHLIOJQGCSJR-UHFFFAOYSA-N
Compound name
methyl 2,2,5,5-tetramethyl-6-oxocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 142.8
[M+Na]+ 235.13047 150.9
[M-H]- 211.13397 146.9
[M+NH4]+ 230.17507 166.3
[M+K]+ 251.10441 150.6
[M+H-H2O]+ 195.13851 139.8
[M+HCOO]- 257.13945 162.2
[M+CH3COO]- 271.15510 188.8
[M+Na-2H]- 233.11592 146.5
[M]+ 212.14070 143.9
[M]- 212.14180 143.9
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

No patent data available for this compound.