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]+ 153.09100 113.9
[M+Na]+ 175.07294 119.3
[M-H]- 151.07644 121.1
[M+NH4]+ 170.11754 125.3
[M+K]+ 191.04688 124.1
[M+H-H2O]+ 135.08098 103.1
[M+HCOO]- 197.08192 131.6
[M+CH3COO]- 211.09757 187.7
[M+Na-2H]- 173.05839 121.4
[M]+ 152.08317 129.4
[M]- 152.08427 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.