CID 9883836

Cetyl dimethylbutyl ether

Structural Information

Molecular Formula
C22H46O
SMILES
CCCCCCCCCCCCCCCCOC(C)CC(C)C
InChI
InChI=1S/C22H46O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22(4)20-21(2)3/h21-22H,5-20H2,1-4H3
InChIKey
XMFUMMRWIFOQDQ-UHFFFAOYSA-N
Compound name
1-(4-methylpentan-2-yloxy)hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

851
Patents

326.35486 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.36214 192.3
[M+Na]+ 349.34408 199.5
[M+NH4]+ 344.38868 198.2
[M+K]+ 365.31802 190.8
[M-H]- 325.34758 191.4
[M+Na-2H]- 347.32953 192.1
[M]+ 326.35431 192.8
[M]- 326.35541 192.8
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