CID 6437398

61565-23-9

Structural Information

Molecular Formula
C17H30O2
SMILES
CCCCCC#CC/C=C/CCCOC(C)OCC
InChI
InChI=1S/C17H30O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-17(3)18-5-2/h12-13,17H,4-8,11,14-16H2,1-3H3/b13-12+
InChIKey
CJVKIEPXYQXRFT-OUKQBFOZSA-N
Compound name
(E)-1-(1-ethoxyethoxy)tridec-4-en-7-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 164.0
[M+Na]+ 289.213798 170.0
[M-H]- 265.217304 162.4
[M+NH4]+ 284.258403 179.2
[M+K]+ 305.187738 166.6
[M+H-H2O]+ 249.221840 152.1
[M+HCOO]- 311.222781 179.1
[M+CH3COO]- 325.238431 206.6
[M+Na-2H]- 287.199246 164.4
[M]+ 266.22403142 164.5
[M]- 266.22512858 164.5
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.