CID 134813569

169117-72-0

Structural Information

Molecular Formula
C20H38O2
SMILES
CCOC(C)(CCC(C)C)C#CC(C)(CCC(C)C)OCC
InChI
InChI=1S/C20H38O2/c1-9-21-19(7,13-11-17(3)4)15-16-20(8,22-10-2)14-12-18(5)6/h17-18H,9-14H2,1-8H3
InChIKey
GCZDIJZDAHHPDE-UHFFFAOYSA-N
Compound name
5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

121
Patents

310.28717 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 181.5
[M+Na]+ 333.27639 186.3
[M-H]- 309.27989 180.1
[M+NH4]+ 328.32099 195.2
[M+K]+ 349.25033 184.4
[M+H-H2O]+ 293.28443 170.3
[M+HCOO]- 355.28537 191.7
[M+CH3COO]- 369.30102 217.4
[M+Na-2H]- 331.26184 180.4
[M]+ 310.28662 182.1
[M]- 310.28772 182.1
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

patents stripe