CID 155822689

Rac-methyl (1r,3r,5s)-6-oxobicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)C(=O)C2
InChI
InChI=1S/C10H14O3/c1-13-10(12)8-3-6-2-7(5-8)9(11)4-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKey
DLJZRXOLHREWAD-GJMOJQLCSA-N
Compound name
methyl (1R,3R,5S)-6-oxobicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 138.6
[M+Na]+ 205.08352 145.3
[M-H]- 181.08702 141.2
[M+NH4]+ 200.12812 162.1
[M+K]+ 221.05746 144.0
[M+H-H2O]+ 165.09156 134.3
[M+HCOO]- 227.09250 157.4
[M+CH3COO]- 241.10815 181.3
[M+Na-2H]- 203.06897 141.7
[M]+ 182.09375 137.6
[M]- 182.09485 137.6
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.