CID 14885416

4,6,8,10,12,14,16,18-octamethoxy-l-tricosene

Structural Information

Molecular Formula
C31H62O8
SMILES
CCCCCC(CC(CC(CC(CC(CC(CC(CC(CC=C)OC)OC)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C31H62O8/c1-11-13-14-16-25(33-4)18-27(35-6)20-29(37-8)22-31(39-10)23-30(38-9)21-28(36-7)19-26(34-5)17-24(32-3)15-12-2/h12,24-31H,2,11,13-23H2,1,3-10H3
InChIKey
ADRITKUCTAJPEK-UHFFFAOYSA-N
Compound name
4,6,8,10,12,14,16,18-octamethoxytricos-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.44446 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.45174 249.0
[M+Na]+ 585.43368 255.6
[M-H]- 561.43718 245.6
[M+NH4]+ 580.47828 263.2
[M+K]+ 601.40762 258.1
[M+H-H2O]+ 545.44172 254.2
[M+HCOO]- 607.44266 241.6
[M+CH3COO]- 621.45831 260.4
[M+Na-2H]- 583.41913 237.0
[M]+ 562.44391 252.0
[M]- 562.44501 252.0
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.