CID 90036461

2-oxaspiro[4.4]nonan-7-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CCOC2)CC1=O
InChI
InChI=1S/C8H12O2/c9-7-1-2-8(5-7)3-4-10-6-8/h1-6H2
InChIKey
OPNVEXLSTZCUOM-UHFFFAOYSA-N
Compound name
2-oxaspiro[4.4]nonan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

140.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.1
[M+Na]+ 163.07294 135.8
[M-H]- 139.07644 135.0
[M+NH4]+ 158.11754 154.8
[M+K]+ 179.04688 135.9
[M+H-H2O]+ 123.08098 125.0
[M+HCOO]- 185.08192 150.8
[M+CH3COO]- 199.09757 168.9
[M+Na-2H]- 161.05839 134.0
[M]+ 140.08317 125.6
[M]- 140.08427 125.6
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