CID 108251

54576-10-2

Structural Information

Molecular Formula
C11H18O3
SMILES
CC1CC(CC(=O)C1C(=O)OC)(C)C
InChI
InChI=1S/C11H18O3/c1-7-5-11(2,3)6-8(12)9(7)10(13)14-4/h7,9H,5-6H2,1-4H3
InChIKey
ZYRYVGBRDTVCMK-UHFFFAOYSA-N
Compound name
methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 144.5
[M+Na]+ 221.11482 154.9
[M+NH4]+ 216.15942 153.3
[M+K]+ 237.08876 148.1
[M-H]- 197.11832 145.2
[M+Na-2H]- 219.10027 149.1
[M]+ 198.12505 146.1
[M]- 198.12615 146.1
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.