CID 101608408

1-oxaspiro[3.5]nonan-7-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CCC1=O)CCO2
InChI
InChI=1S/C8H12O2/c9-7-1-3-8(4-2-7)5-6-10-8/h1-6H2
InChIKey
BUAOQTBIYQCYGA-UHFFFAOYSA-N
Compound name
1-oxaspiro[3.5]nonan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 120.5
[M+Na]+ 163.07294 125.7
[M-H]- 139.07644 126.5
[M+NH4]+ 158.11754 136.5
[M+K]+ 179.04688 129.1
[M+H-H2O]+ 123.08098 111.4
[M+HCOO]- 185.08192 139.4
[M+CH3COO]- 199.09757 174.3
[M+Na-2H]- 161.05839 129.2
[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