CID 116767

2h-pyran, 2-((3,13-tetradecadiynyl)oxy)tetrahydro-

Structural Information

Molecular Formula
C19H30O2
SMILES
C#CCCCCCCCCC#CCCOC1CCCCO1
InChI
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h1,19H,3-10,13-18H2
InChIKey
BDNJRDAELLGHDH-UHFFFAOYSA-N
Compound name
2-tetradeca-3,13-diynoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.22458 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.231856 164.5
[M+Na]+ 313.213798 171.5
[M-H]- 289.217304 165.8
[M+NH4]+ 308.258403 174.1
[M+K]+ 329.187738 166.0
[M+H-H2O]+ 273.221840 149.8
[M+HCOO]- 335.222781 170.5
[M+CH3COO]- 349.238431 221.4
[M+Na-2H]- 311.199246 164.7
[M]+ 290.22403142 157.5
[M]- 290.22512858 157.5
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.