CID 495362

4,6,8,10,12,14,16,18,20,22-decamethoxy-1-heptacosene

Structural Information

Molecular Formula
C37H74O10
SMILES
CCCCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC=C)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C37H74O10/c1-13-15-16-18-29(39-4)20-31(41-6)22-33(43-8)24-35(45-10)26-37(47-12)27-36(46-11)25-34(44-9)23-32(42-7)21-30(40-5)19-28(38-3)17-14-2/h14,28-37H,2,13,15-27H2,1,3-12H3
InChIKey
OXGGBELMJKZUBN-UHFFFAOYSA-N
Compound name
4,6,8,10,12,14,16,18,20,22-decamethoxyheptacos-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.5282 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.53548 276.9
[M+Na]+ 701.51742 282.3
[M-H]- 677.52092 275.3
[M+NH4]+ 696.56202 295.5
[M+K]+ 717.49136 288.2
[M+H-H2O]+ 661.52546 282.7
[M+HCOO]- 723.52640 262.1
[M+CH3COO]- 737.54205 280.7
[M+Na-2H]- 699.50287 262.7
[M]+ 678.52765 281.7
[M]- 678.52875 281.7
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.