CID 57429837

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

Structural Information

Molecular Formula
C10H16O3
SMILES
CCOC(=O)C1CC12CCOCC2
InChI
InChI=1S/C10H16O3/c1-2-13-9(11)8-7-10(8)3-5-12-6-4-10/h8H,2-7H2,1H3
InChIKey
YMFHJKPSMOGHHD-UHFFFAOYSA-N
Compound name
ethyl 6-oxaspiro[2.5]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

184.10994 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe