CID 11007989

1-oxaspiro[4.4]nonan-2-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC2(C1)CCC(=O)O2
InChI
InChI=1S/C8H12O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1-6H2
InChIKey
JFVMNDINHUZJDN-UHFFFAOYSA-N
Compound name
1-oxaspiro[4.4]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

140.08372 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe