CID 130833210

Rac-(1r,4r)-spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-5-one

Structural Information

Molecular Formula
C9H12O3
SMILES
C1COC2(O1)C[C@@H]3C[C@H]2CC3=O
InChI
InChI=1S/C9H12O3/c10-8-4-7-3-6(8)5-9(7)11-1-2-12-9/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKey
AHODDELHXDJTTC-BQBZGAKWSA-N
Compound name
(1'S,4'S)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

168.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 134.2
[M+Na]+ 191.06786 142.1
[M-H]- 167.07136 140.5
[M+NH4]+ 186.11246 160.9
[M+K]+ 207.04180 142.6
[M+H-H2O]+ 151.07590 132.2
[M+HCOO]- 213.07684 153.6
[M+CH3COO]- 227.09249 148.6
[M+Na-2H]- 189.05331 138.9
[M]+ 168.07809 133.7
[M]- 168.07919 133.7
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

patents stripe