CID 112217

Tridecane, 1,1'-[methylenebis(oxy)]bis-

Structural Information

Molecular Formula
C27H56O2
SMILES
CCCCCCCCCCCCCOCOCCCCCCCCCCCCC
InChI
InChI=1S/C27H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-27-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
HUORXJRUKHMTDN-UHFFFAOYSA-N
Compound name
1-(tridecoxymethoxy)tridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.42804 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.43532 219.1
[M+Na]+ 435.41726 217.5
[M-H]- 411.42076 215.2
[M+NH4]+ 430.46186 221.7
[M+K]+ 451.39120 212.7
[M+H-H2O]+ 395.42530 210.3
[M+HCOO]- 457.42624 236.9
[M+CH3COO]- 471.44189 233.7
[M+Na-2H]- 433.40271 215.0
[M]+ 412.42749 231.3
[M]- 412.42859 231.3
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.