CID 14020410

2-oxabicyclo[2.2.1]heptan-6-one

Structural Information

Molecular Formula
C6H8O2
SMILES
C1C2CC(=O)C1OC2
InChI
InChI=1S/C6H8O2/c7-5-1-4-2-6(5)8-3-4/h4,6H,1-3H2
InChIKey
CQSRCTUGTARZBC-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.1]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

112.05243 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 119.2
[M+Na]+ 135.041648 127.6
[M-H]- 111.045154 122.9
[M+NH4]+ 130.086253 145.8
[M+K]+ 151.015588 127.9
[M+H-H2O]+ 95.049690 116.1
[M+HCOO]- 157.050631 141.2
[M+CH3COO]- 171.066281 166.8
[M+Na-2H]- 133.027096 125.6
[M]+ 112.05188142 119.1
[M]- 112.05297858 119.1
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