CID 90477852

950-41-4

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCC1(C(O1)CC)C#CC(CC)(CC)O
InChI
InChI=1S/C14H24O2/c1-5-9-14(12(6-2)16-14)11-10-13(15,7-3)8-4/h12,15H,5-9H2,1-4H3
InChIKey
KJSZOQPSKFEFIG-UHFFFAOYSA-N
Compound name
3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 147.5
[M+Na]+ 247.16685 161.9
[M-H]- 223.17035 152.3
[M+NH4]+ 242.21145 162.2
[M+K]+ 263.14079 156.9
[M+H-H2O]+ 207.17489 140.0
[M+HCOO]- 269.17583 162.5
[M+CH3COO]- 283.19148 198.9
[M+Na-2H]- 245.15230 154.5
[M]+ 224.17708 150.4
[M]- 224.17818 150.4
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.