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]+ 325.310106 181.1
[M+Na]+ 347.292048 185.0
[M-H]- 323.295554 178.7
[M+NH4]+ 342.336653 194.1
[M+K]+ 363.265988 181.6
[M+H-H2O]+ 307.300090 168.5
[M+HCOO]- 369.301031 193.8
[M+CH3COO]- 383.316681 219.2
[M+Na-2H]- 345.277496 178.4
[M]+ 324.30228142 183.0
[M]- 324.30337858 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.