CID 10856446

Ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate

Structural Information

Molecular Formula
C11H18O3
SMILES
CCOC(=O)C1C2(O1)CCC(CC2)C
InChI
InChI=1S/C11H18O3/c1-3-13-10(12)9-11(14-9)6-4-8(2)5-7-11/h8-9H,3-7H2,1-2H3
InChIKey
KAJXXKIXJKJMEG-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 145.8
[M+Na]+ 221.11482 153.7
[M-H]- 197.11832 152.8
[M+NH4]+ 216.15942 161.4
[M+K]+ 237.08876 154.1
[M+H-H2O]+ 181.12286 140.3
[M+HCOO]- 243.12380 164.0
[M+CH3COO]- 257.13945 186.6
[M+Na-2H]- 219.10027 151.2
[M]+ 198.12505 148.5
[M]- 198.12615 148.5
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.