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 150.5
[M+Na]+ 263.08900 158.8
[M+NH4]+ 258.13360 152.7
[M+K]+ 279.06294 153.5
[M-H]- 239.09250 142.5
[M+Na-2H]- 261.07445 148.8
[M]+ 240.09923 148.2
[M]- 240.10033 148.2
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.