CID 12483673

Rac-(1r,5r)-bicyclo[3.2.0]heptan-6-one

Structural Information

Molecular Formula
C7H10O
SMILES
C1C[C@@H]2CC(=O)[C@@H]2C1
InChI
InChI=1S/C7H10O/c8-7-4-5-2-1-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKey
XADFSXKNPLLSDY-PHDIDXHHSA-N
Compound name
(1R,5R)-bicyclo[3.2.0]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

110.073166 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe