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
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 160.1
[M+Na]+ 275.19814 166.5
[M-H]- 251.20164 158.7
[M+NH4]+ 270.24274 175.8
[M+K]+ 291.17208 163.3
[M+H-H2O]+ 235.20618 148.4
[M+HCOO]- 297.20712 175.4
[M+CH3COO]- 311.22277 203.9
[M+Na-2H]- 273.18359 160.9
[M]+ 252.20837 160.3
[M]- 252.20947 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.