CID 14520929

4,6,8,10,12,14,16,18,20-nonamethoxy-1-pentacosene

Structural Information

Molecular Formula
C34H68O9
SMILES
CCCCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC=C)OC)OC)OC)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C34H68O9/c1-12-14-15-17-27(36-4)19-29(38-6)21-31(40-8)23-33(42-10)25-34(43-11)24-32(41-9)22-30(39-7)20-28(37-5)18-26(35-3)16-13-2/h13,26-34H,2,12,14-25H2,1,3-11H3
InChIKey
LZXSVVIBIZILEY-UHFFFAOYSA-N
Compound name
4,6,8,10,12,14,16,18,20-nonamethoxypentacos-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.4863 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.49358 262.9
[M+Na]+ 643.47552 268.9
[M-H]- 619.47902 260.4
[M+NH4]+ 638.52012 279.3
[M+K]+ 659.44946 273.1
[M+H-H2O]+ 603.48356 268.4
[M+HCOO]- 665.48450 251.8
[M+CH3COO]- 679.50015 270.7
[M+Na-2H]- 641.46097 249.8
[M]+ 620.48575 266.6
[M]- 620.48685 266.6
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.