CID 122411642

Sodium 2-ethoxy-2-oxo-1-[(3e)-2-oxooxan-3-ylidene]ethan-1-olate

Structural Information

Molecular Formula
C9H12O5
SMILES
CCOC(=O)/C(=C\1/CCCOC1=O)/O
InChI
InChI=1S/C9H12O5/c1-2-13-9(12)7(10)6-4-3-5-14-8(6)11/h10H,2-5H2,1H3/b7-6+
InChIKey
QXLVJJUNRSQXID-VOTSOKGWSA-N
Compound name
ethyl (2E)-2-hydroxy-2-(2-oxooxan-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 142.3
[M+Na]+ 223.05769 150.8
[M+NH4]+ 218.10229 147.9
[M+K]+ 239.03163 148.1
[M-H]- 199.06119 142.2
[M+Na-2H]- 221.04314 143.7
[M]+ 200.06792 142.9
[M]- 200.06902 142.9
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.