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

2766
Patents

138.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 127.6
[M+Na]+ 161.05730 136.1
[M-H]- 137.06080 131.7
[M+NH4]+ 156.10190 156.1
[M+K]+ 177.03124 135.6
[M+H-H2O]+ 121.06534 125.4
[M+HCOO]- 183.06628 148.0
[M+CH3COO]- 197.08193 142.5
[M+Na-2H]- 159.04275 131.7
[M]+ 138.06753 128.6
[M]- 138.06863 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