CID 170495

Distearyl formal

Structural Information

Molecular Formula
C37H76O2
SMILES
CCCCCCCCCCCCCCCCCCOCOCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C37H76O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
InChIKey
WXZWIPLBXXXGGI-UHFFFAOYSA-N
Compound name
1-(octadecoxymethoxy)octadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

552.58453 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.59181 260.9
[M+Na]+ 575.57375 264.9
[M-H]- 551.57725 238.3
[M+NH4]+ 570.61835 257.3
[M+K]+ 591.54769 266.5
[M+H-H2O]+ 535.58179 259.6
[M+HCOO]- 597.58273 269.0
[M+CH3COO]- 611.59838 262.1
[M+Na-2H]- 573.55920 242.8
[M]+ 552.58398 261.7
[M]- 552.58508 261.7
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

patents stripe