CID 85977288

6,6-diethylhoctadecane

Structural Information

Molecular Formula
C22H46
SMILES
CCCCCCCCCCCCC(CC)(CC)CCCCC
InChI
InChI=1S/C22H46/c1-5-9-11-12-13-14-15-16-17-19-21-22(7-3,8-4)20-18-10-6-2/h5-21H2,1-4H3
InChIKey
GMZYILNPDQRDQY-UHFFFAOYSA-N
Compound name
6,6-diethyloctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.35995 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.367226 191.6
[M+Na]+ 333.349168 192.7
[M-H]- 309.352674 189.2
[M+NH4]+ 328.393773 207.0
[M+K]+ 349.323108 188.7
[M+H-H2O]+ 293.357210 185.0
[M+HCOO]- 355.358151 208.6
[M+CH3COO]- 369.373801 216.0
[M+Na-2H]- 331.334616 190.8
[M]+ 310.35940142 198.6
[M]- 310.36049858 198.6
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.