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]+ 155.10666 132.7
[M+Na]+ 177.08860 140.0
[M-H]- 153.09210 138.9
[M+NH4]+ 172.13320 158.2
[M+K]+ 193.06254 139.8
[M+H-H2O]+ 137.09664 128.9
[M+HCOO]- 199.09758 154.1
[M+CH3COO]- 213.11323 173.0
[M+Na-2H]- 175.07405 136.6
[M]+ 154.09883 130.0
[M]- 154.09993 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.