CID 365785

Nsc633860

Structural Information

Molecular Formula
C12H18O4
SMILES
CCOC(=O)C#CCCOC1CCCCO1
InChI
InChI=1S/C12H18O4/c1-2-14-11(13)7-3-5-9-15-12-8-4-6-10-16-12/h12H,2,4-6,8-10H2,1H3
InChIKey
FOIRORZMUKGKTA-UHFFFAOYSA-N
Compound name
ethyl 5-(oxan-2-yloxy)pent-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

226.12051 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 146.9
[M+Na]+ 249.10973 153.5
[M-H]- 225.11323 148.5
[M+NH4]+ 244.15433 161.7
[M+K]+ 265.08367 152.0
[M+H-H2O]+ 209.11777 134.7
[M+HCOO]- 271.11871 160.5
[M+CH3COO]- 285.13436 193.5
[M+Na-2H]- 247.09518 150.3
[M]+ 226.11996 142.6
[M]- 226.12106 142.6
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.