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 142.2
[M-H]- 153.09210 136.6
[M+NH4]+ 172.13320 161.8
[M+K]+ 193.06254 140.6
[M+H-H2O]+ 137.09664 130.3
[M+HCOO]- 199.09758 155.1
[M+CH3COO]- 213.11323 176.6
[M+Na-2H]- 175.07405 137.7
[M]+ 154.09883 134.2
[M]- 154.09993 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.