CID 170915407

At45581

Structural Information

Molecular Formula
C10H14O4
SMILES
COC(=O)C1CC(=O)C12CCOCC2
InChI
InChI=1S/C10H14O4/c1-13-9(12)7-6-8(11)10(7)2-4-14-5-3-10/h7H,2-6H2,1H3
InChIKey
HMPFHMJZQUZNRK-UHFFFAOYSA-N
Compound name
methyl 3-oxo-7-oxaspiro[3.5]nonane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 135.3
[M+Na]+ 221.07842 140.1
[M-H]- 197.08192 141.2
[M+NH4]+ 216.12302 148.9
[M+K]+ 237.05236 144.1
[M+H-H2O]+ 181.08646 125.7
[M+HCOO]- 243.08740 152.9
[M+CH3COO]- 257.10305 184.7
[M+Na-2H]- 219.06387 141.0
[M]+ 198.08865 142.8
[M]- 198.08975 142.8
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.