CID 95588

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

Structural Information

Molecular Formula
C10H16O3
SMILES
CCOC(=O)C1C2(O1)CCCCC2
InChI
InChI=1S/C10H16O3/c1-2-12-9(11)8-10(13-8)6-4-3-5-7-10/h8H,2-7H2,1H3
InChIKey
MARQMDSVINDKRX-UHFFFAOYSA-N
Compound name
ethyl 1-oxaspiro[2.5]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

184.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 142.4
[M+Na]+ 207.09916 149.8
[M-H]- 183.10266 149.2
[M+NH4]+ 202.14376 158.2
[M+K]+ 223.07310 150.5
[M+H-H2O]+ 167.10720 136.8
[M+HCOO]- 229.10814 161.0
[M+CH3COO]- 243.12379 182.6
[M+Na-2H]- 205.08461 148.8
[M]+ 184.10939 144.3
[M]- 184.11049 144.3
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