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
1
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]+ 267.23186 164.0
[M+Na]+ 289.21380 170.0
[M-H]- 265.21730 162.4
[M+NH4]+ 284.25840 179.2
[M+K]+ 305.18774 166.6
[M+H-H2O]+ 249.22184 152.1
[M+HCOO]- 311.22278 179.1
[M+CH3COO]- 325.23843 206.6
[M+Na-2H]- 287.19925 164.4
[M]+ 266.22403 164.5
[M]- 266.22513 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.