CID 6436838

58763-67-0

Structural Information

Molecular Formula
C16H28O2
SMILES
CCC#C/C=C/CCCCCCOC(C)OCC
InChI
InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-15-18-16(3)17-5-2/h8-9,16H,4-5,10-15H2,1-3H3/b9-8+
InChIKey
AFFLAKUHPBBSGC-CMDGGOBGSA-N
Compound name
(E)-12-(1-ethoxyethoxy)dodec-5-en-3-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 160.1
[M+Na]+ 275.198138 166.5
[M-H]- 251.201644 158.7
[M+NH4]+ 270.242743 175.8
[M+K]+ 291.172078 163.3
[M+H-H2O]+ 235.206180 148.4
[M+HCOO]- 297.207121 175.4
[M+CH3COO]- 311.222771 203.9
[M+Na-2H]- 273.183586 160.9
[M]+ 252.20837142 160.3
[M]- 252.20946858 160.3
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.