CID 21156025

8-hexadecyne, 1,1-diethoxy-14-methyl-

Structural Information

Molecular Formula
C21H40O2
SMILES
CCC(C)CCCCC#CCCCCCCC(OCC)OCC
InChI
InChI=1S/C21H40O2/c1-5-20(4)18-16-14-12-10-8-9-11-13-15-17-19-21(22-6-2)23-7-3/h20-21H,5-7,9,11-19H2,1-4H3
InChIKey
UOOXKQISRGHOFK-UHFFFAOYSA-N
Compound name
1,1-diethoxy-14-methylhexadec-8-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.30283 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.31011 181.1
[M+Na]+ 347.29205 185.0
[M-H]- 323.29555 178.7
[M+NH4]+ 342.33665 194.1
[M+K]+ 363.26599 181.6
[M+H-H2O]+ 307.30009 168.5
[M+HCOO]- 369.30103 193.8
[M+CH3COO]- 383.31668 219.2
[M+Na-2H]- 345.27750 178.4
[M]+ 324.30228 183.0
[M]- 324.30338 183.0
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.