CID 376759

6-oxabicyclo[3.2.1]oct-3-en-7-one

Structural Information

Molecular Formula
C7H8O2
SMILES
C1C=CC2CC1C(=O)O2
InChI
InChI=1S/C7H8O2/c8-7-5-2-1-3-6(4-5)9-7/h1,3,5-6H,2,4H2
InChIKey
TVEXGJYMHHTVKP-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.2.1]oct-3-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

674
Patents

124.05243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 120.0
[M+Na]+ 147.04165 128.3
[M-H]- 123.04515 123.7
[M+NH4]+ 142.08625 144.5
[M+K]+ 163.01559 128.1
[M+H-H2O]+ 107.04969 116.0
[M+HCOO]- 169.05063 141.1
[M+CH3COO]- 183.06628 169.2
[M+Na-2H]- 145.02710 128.4
[M]+ 124.05188 119.6
[M]- 124.05298 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe