CID 73120919

(6r,7s)-6,7-epoxy-1,3-tetradecadiyne

Structural Information

Molecular Formula
C14H20O
SMILES
CCCCCCCC1C(O1)CC#CC#C
InChI
InChI=1S/C14H20O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2,13-14H,3,5,7-8,10-12H2,1H3
InChIKey
CRSUKNCTBDUAQP-UHFFFAOYSA-N
Compound name
2-heptyl-3-penta-2,4-diynyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 163.6
[M+Na]+ 227.14063 172.4
[M+NH4]+ 222.18523 164.7
[M+K]+ 243.11457 163.3
[M-H]- 203.14413 157.9
[M+Na-2H]- 225.12608 163.2
[M]+ 204.15086 162.8
[M]- 204.15196 162.8
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.