CID 10942347

(1s,5r)-bicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C6H8O
SMILES
C1CC(=O)[C@@H]2[C@H]1C2
InChI
InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m1/s1
InChIKey
HFCMQKFXCMZZMZ-UHNVWZDZSA-N
Compound name
(1S,5R)-bicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

96.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 118.2
[M+Na]+ 119.04674 130.4
[M+NH4]+ 114.09134 128.7
[M+K]+ 135.02068 127.5
[M-H]- 95.050244 126.5
[M+Na-2H]- 117.03219 125.2
[M]+ 96.056971 123.2
[M]- 96.058069 123.2
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

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