CID 137935544

Methyl 2-oxospiro[3.5]nonane-7-carboxylate

Structural Information

Molecular Formula
C11H16O3
SMILES
COC(=O)C1CCC2(CC1)CC(=O)C2
InChI
InChI=1S/C11H16O3/c1-14-10(13)8-2-4-11(5-3-8)6-9(12)7-11/h8H,2-7H2,1H3
InChIKey
GNWGRURMLWQSKC-UHFFFAOYSA-N
Compound name
methyl 2-oxospiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 139.5
[M+Na]+ 219.099158 144.0
[M-H]- 195.102664 144.6
[M+NH4]+ 214.143763 154.5
[M+K]+ 235.073098 146.2
[M+H-H2O]+ 179.107200 129.9
[M+HCOO]- 241.108141 157.4
[M+CH3COO]- 255.123791 185.5
[M+Na-2H]- 217.084606 143.4
[M]+ 196.10939142 145.3
[M]- 196.11048858 145.3
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

No patent data available for this compound.