CID 12501587

Rac-(1r,5s)-7,7-dimethylbicyclo[3.2.0]heptan-6-one

Structural Information

Molecular Formula
C9H14O
SMILES
CC1([C@@H]2CCC[C@@H]2C1=O)C
InChI
InChI=1S/C9H14O/c1-9(2)7-5-3-4-6(7)8(9)10/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey
INDMRFDFEBAXTK-NKWVEPMBSA-N
Compound name
(1R,5S)-7,7-dimethylbicyclo[3.2.0]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 125.9
[M+Na]+ 161.09368 133.7
[M-H]- 137.09718 131.0
[M+NH4]+ 156.13828 146.4
[M+K]+ 177.06762 134.6
[M+H-H2O]+ 121.10172 118.6
[M+HCOO]- 183.10266 146.8
[M+CH3COO]- 197.11831 178.4
[M+Na-2H]- 159.07913 131.2
[M]+ 138.10391 134.0
[M]- 138.10501 134.0
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.