CID 12540940

Rac-(1r,5r)-bicyclo[3.2.0]heptan-2-one

Structural Information

Molecular Formula
C7H10O
SMILES
C1C[C@H]2[C@@H]1CCC2=O
InChI
InChI=1S/C7H10O/c8-7-4-2-5-1-3-6(5)7/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKey
LNJNDNOHSVRMLG-WDSKDSINSA-N
Compound name
(1S,5S)-bicyclo[3.2.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 115.3
[M+Na]+ 133.06238 122.1
[M-H]- 109.06589 119.9
[M+NH4]+ 128.10699 134.6
[M+K]+ 149.03632 123.8
[M+H-H2O]+ 93.070426 106.8
[M+HCOO]- 155.07137 136.9
[M+CH3COO]- 169.08702 171.9
[M+Na-2H]- 131.04783 121.3
[M]+ 110.07262 122.0
[M]- 110.07371 122.0
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.