CID 165671053

Rac-(1r,4r,5s)-5-methoxy-5-methylbicyclo[2.2.1]heptan-2-one

Structural Information

Molecular Formula
C9H14O2
SMILES
C[C@@]1(C[C@H]2C[C@@H]1CC2=O)OC
InChI
InChI=1S/C9H14O2/c1-9(11-2)5-6-3-7(9)4-8(6)10/h6-7H,3-5H2,1-2H3/t6-,7-,9+/m1/s1
InChIKey
SCVJVICHIOTNDR-BHNWBGBOSA-N
Compound name
(1R,4R,5S)-5-methoxy-5-methylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.2
[M+Na]+ 177.08860 142.1
[M+NH4]+ 172.13320 144.0
[M+K]+ 193.06254 138.2
[M-H]- 153.09210 133.2
[M+Na-2H]- 175.07405 135.9
[M]+ 154.09883 134.3
[M]- 154.09993 134.3
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.