CID 20841393

71566-69-3

Structural Information

Molecular Formula
C21H42O2
SMILES
CCC(C)CCCC/C=C\CCCCCCC(OCC)OCC
InChI
InChI=1S/C21H42O2/c1-5-20(4)18-16-14-12-10-8-9-11-13-15-17-19-21(22-6-2)23-7-3/h8,10,20-21H,5-7,9,11-19H2,1-4H3/b10-8-
InChIKey
NJUSQJGBBUENCQ-NTMALXAHSA-N
Compound name
(Z)-1,1-diethoxy-14-methylhexadec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.31848 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.32576 193.4
[M+Na]+ 349.30770 194.4
[M-H]- 325.31120 191.1
[M+NH4]+ 344.35230 207.8
[M+K]+ 365.28164 191.5
[M+H-H2O]+ 309.31574 186.2
[M+HCOO]- 371.31668 211.0
[M+CH3COO]- 385.33233 216.1
[M+Na-2H]- 347.29315 189.9
[M]+ 326.31793 201.3
[M]- 326.31903 201.3
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.