CID 6436838

(e)-12-(1-ethoxyethoxy)dodec-5-en-3-yne

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
1
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]+ 253.21620 161.1
[M+Na]+ 275.19814 169.8
[M+NH4]+ 270.24274 163.9
[M+K]+ 291.17208 159.8
[M-H]- 251.20164 152.2
[M+Na-2H]- 273.18359 160.1
[M]+ 252.20837 158.8
[M]- 252.20947 158.8
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.