CID 262549

4-oxa-tricyclo(4.2.1.0(3,7))nonan-5-one

Structural Information

Molecular Formula
C8H10O2
SMILES
C1C2CC3C1C(C2)OC3=O
InChI
InChI=1S/C8H10O2/c9-8-6-2-4-1-5(6)7(3-4)10-8/h4-7H,1-3H2
InChIKey
ARGGOKUVIPUXPJ-UHFFFAOYSA-N
Compound name
4-oxatricyclo[4.2.1.03,7]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2649
Patents

138.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 127.6
[M+Na]+ 161.057298 136.1
[M-H]- 137.060804 131.7
[M+NH4]+ 156.101903 156.1
[M+K]+ 177.031238 135.6
[M+H-H2O]+ 121.065340 125.4
[M+HCOO]- 183.066281 148.0
[M+CH3COO]- 197.081931 142.5
[M+Na-2H]- 159.042746 131.7
[M]+ 138.06753142 128.6
[M]- 138.06862858 128.6
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