CID 50374

69352-39-2

Structural Information

Molecular Formula
C12H16O5
SMILES
CCOC(=O)CC1CC(OC1=O)COCC#C
InChI
InChI=1S/C12H16O5/c1-3-5-15-8-10-6-9(12(14)17-10)7-11(13)16-4-2/h1,9-10H,4-8H2,2H3
InChIKey
ZZORPIJLMLMPSQ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-oxo-5-(prop-2-ynoxymethyl)oxolan-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09978 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.107056 147.7
[M+Na]+ 263.088998 156.7
[M-H]- 239.092504 150.1
[M+NH4]+ 258.133603 163.9
[M+K]+ 279.062938 155.2
[M+H-H2O]+ 223.097040 136.2
[M+HCOO]- 285.097981 163.5
[M+CH3COO]- 299.113631 197.7
[M+Na-2H]- 261.074446 149.0
[M]+ 240.09923142 146.8
[M]- 240.10032858 146.8
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.