CID 132558144

3-methyl-2-oxaspiro[4.4]nonan-1-one

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1CC2(CCCC2)C(=O)O1
InChI
InChI=1S/C9H14O2/c1-7-6-9(8(10)11-7)4-2-3-5-9/h7H,2-6H2,1H3
InChIKey
NYYJLACJYOZPGX-UHFFFAOYSA-N
Compound name
3-methyl-2-oxaspiro[4.4]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 132.7
[M+Na]+ 177.088598 140.0
[M-H]- 153.092104 138.9
[M+NH4]+ 172.133203 158.2
[M+K]+ 193.062538 139.8
[M+H-H2O]+ 137.096640 128.9
[M+HCOO]- 199.097581 154.1
[M+CH3COO]- 213.113231 173.0
[M+Na-2H]- 175.074046 136.6
[M]+ 154.09883142 130.0
[M]- 154.09992858 130.0
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

No patent data available for this compound.