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]+ 155.106656 133.2
[M+Na]+ 177.088598 142.2
[M-H]- 153.092104 136.6
[M+NH4]+ 172.133203 161.8
[M+K]+ 193.062538 140.6
[M+H-H2O]+ 137.096640 130.3
[M+HCOO]- 199.097581 155.1
[M+CH3COO]- 213.113231 176.6
[M+Na-2H]- 175.074046 137.7
[M]+ 154.09883142 134.2
[M]- 154.09992858 134.2
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.