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]+ 241.10706 147.7
[M+Na]+ 263.08900 156.7
[M-H]- 239.09250 150.1
[M+NH4]+ 258.13360 163.9
[M+K]+ 279.06294 155.2
[M+H-H2O]+ 223.09704 136.2
[M+HCOO]- 285.09798 163.5
[M+CH3COO]- 299.11363 197.7
[M+Na-2H]- 261.07445 149.0
[M]+ 240.09923 146.8
[M]- 240.10033 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.