CID 53308477

850637-12-6

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)C1(CCOCC1)C(=O)C
InChI
InChI=1S/C10H16O4/c1-3-14-9(12)10(8(2)11)4-6-13-7-5-10/h3-7H2,1-2H3
InChIKey
WKEOGIBWOMTOOE-UHFFFAOYSA-N
Compound name
ethyl 4-acetyloxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.3
[M+Na]+ 223.094078 148.2
[M-H]- 199.097584 146.8
[M+NH4]+ 218.138683 162.7
[M+K]+ 239.068018 149.8
[M+H-H2O]+ 183.102120 138.4
[M+HCOO]- 245.103061 161.6
[M+CH3COO]- 259.118711 182.5
[M+Na-2H]- 221.079526 148.0
[M]+ 200.10431142 143.4
[M]- 200.10540858 143.4
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