CID 10488810

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)C1CCC2(CC1)OCCO2
InChI
InChI=1S/C11H18O4/c1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h9H,2-8H2,1H3
InChIKey
UXXWGBLTOSRBAY-UHFFFAOYSA-N
Compound name
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1218
Patents

214.12051 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 147.7
[M+Na]+ 237.10973 152.0
[M-H]- 213.11323 153.5
[M+NH4]+ 232.15433 167.2
[M+K]+ 253.08367 153.8
[M+H-H2O]+ 197.11777 142.6
[M+HCOO]- 259.11871 164.7
[M+CH3COO]- 273.13436 182.4
[M+Na-2H]- 235.09518 152.3
[M]+ 214.11996 145.9
[M]- 214.12106 145.9
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

patents stripe