CID 21677765

En300-27686734

Structural Information

Molecular Formula
C11H16O3
SMILES
C[C@@]1(C[C@@H]2CC[C@H]1CC2=O)C(=O)OC
InChI
InChI=1S/C11H16O3/c1-11(10(13)14-2)6-7-3-4-8(11)5-9(7)12/h7-8H,3-6H2,1-2H3/t7-,8-,11-/m0/s1
InChIKey
SIZDDQWQVOUEGQ-LAEOZQHASA-N
Compound name
methyl (1S,2S,4S)-2-methyl-5-oxobicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 141.3
[M+Na]+ 219.09916 150.7
[M+NH4]+ 214.14376 152.6
[M+K]+ 235.07310 142.8
[M-H]- 195.10266 138.7
[M+Na-2H]- 217.08461 139.8
[M]+ 196.10939 141.8
[M]- 196.11049 141.8
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.