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]+ 225.184906 147.5
[M+Na]+ 247.166848 161.9
[M-H]- 223.170354 152.3
[M+NH4]+ 242.211453 162.2
[M+K]+ 263.140788 156.9
[M+H-H2O]+ 207.174890 140.0
[M+HCOO]- 269.175831 162.5
[M+CH3COO]- 283.191481 198.9
[M+Na-2H]- 245.152296 154.5
[M]+ 224.17708142 150.4
[M]- 224.17817858 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.