CID 21675510

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

Structural Information

Molecular Formula
C7H10O
SMILES
C[C@@]12CCC(=O)[C@@H]1C2
InChI
InChI=1S/C7H10O/c1-7-3-2-6(8)5(7)4-7/h5H,2-4H2,1H3/t5-,7-/m0/s1
InChIKey
DNGLGSJXMDGAJW-FSPLSTOPSA-N
Compound name
(1R,5S)-5-methylbicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 122.3
[M+Na]+ 133.062384 133.4
[M-H]- 109.065890 128.2
[M+NH4]+ 128.106989 145.1
[M+K]+ 149.036324 131.6
[M+H-H2O]+ 93.070426 118.6
[M+HCOO]- 155.071367 145.0
[M+CH3COO]- 169.087017 171.9
[M+Na-2H]- 131.047832 129.6
[M]+ 110.07261742 124.6
[M]- 110.07371458 124.6
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.