CID 86812251

1807938-84-6

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC2(C1)[C@H]3[C@@H](C2=O)CCO3
InChI
InChI=1S/C9H12O2/c10-7-6-2-5-11-8(6)9(7)3-1-4-9/h6,8H,1-5H2/t6-,8-/m1/s1
InChIKey
JZUWEBMBMMLTLH-HTRCEHHLSA-N
Compound name
(1R,5S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 113.9
[M+Na]+ 175.072938 119.3
[M-H]- 151.076444 121.1
[M+NH4]+ 170.117543 125.3
[M+K]+ 191.046878 124.1
[M+H-H2O]+ 135.080980 103.1
[M+HCOO]- 197.081921 131.6
[M+CH3COO]- 211.097571 187.7
[M+Na-2H]- 173.058386 121.4
[M]+ 152.08317142 129.4
[M]- 152.08426858 129.4
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.