CID 557027

9-oxabicyclo[3.3.1]non-6-en-2-one

Structural Information

Molecular Formula
C8H10O2
SMILES
C1CC(=O)C2CC=CC1O2
InChI
InChI=1S/C8H10O2/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6,8H,3-5H2
InChIKey
GYZNCJBSTRCMCB-UHFFFAOYSA-N
Compound name
9-oxabicyclo[3.3.1]non-6-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 123.6
[M+Na]+ 161.05730 130.4
[M-H]- 137.06080 126.9
[M+NH4]+ 156.10190 145.6
[M+K]+ 177.03124 130.2
[M+H-H2O]+ 121.06534 118.7
[M+HCOO]- 183.06628 142.2
[M+CH3COO]- 197.08193 172.6
[M+Na-2H]- 159.04275 133.0
[M]+ 138.06753 121.4
[M]- 138.06863 121.4
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.