CID 20667

Dodecyl ether

Structural Information

Molecular Formula
C24H50O
SMILES
CCCCCCCCCCCCOCCCCCCCCCCCC
InChI
InChI=1S/C24H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
CMCBDXRRFKYBDG-UHFFFAOYSA-N
Compound name
1-dodecoxydodecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

164
References

115465
Patents

354.38617 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.393446 203.2
[M+Na]+ 377.375388 202.9
[M-H]- 353.378894 200.0
[M+NH4]+ 372.419993 216.5
[M+K]+ 393.349328 198.4
[M+H-H2O]+ 337.383430 195.3
[M+HCOO]- 399.384371 221.2
[M+CH3COO]- 413.400021 223.3
[M+Na-2H]- 375.360836 200.6
[M]+ 354.38562142 212.8
[M]- 354.38671858 212.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe