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

12
Patents

112.05243 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 119.2
[M+Na]+ 135.04165 127.6
[M-H]- 111.04515 122.9
[M+NH4]+ 130.08625 145.8
[M+K]+ 151.01559 127.9
[M+H-H2O]+ 95.049690 116.1
[M+HCOO]- 157.05063 141.2
[M+CH3COO]- 171.06628 166.8
[M+Na-2H]- 133.02710 125.6
[M]+ 112.05188 119.1
[M]- 112.05298 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