CID 137935544

2248281-16-3

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]+ 197.11722 139.5
[M+Na]+ 219.09916 144.0
[M-H]- 195.10266 144.6
[M+NH4]+ 214.14376 154.5
[M+K]+ 235.07310 146.2
[M+H-H2O]+ 179.10720 129.9
[M+HCOO]- 241.10814 157.4
[M+CH3COO]- 255.12379 185.5
[M+Na-2H]- 217.08461 143.4
[M]+ 196.10939 145.3
[M]- 196.11049 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.