CID 282770

1,4-dimethyl-3-n-octadecylcyclohexane

Structural Information

Molecular Formula
C26H52
SMILES
CCCCCCCCCCCCCCCCCCC1CC(CCC1C)C
InChI
InChI=1S/C26H52/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-24(2)21-22-25(26)3/h24-26H,4-23H2,1-3H3
InChIKey
IYAUESUIHMJWPO-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2-octadecylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

364.4069 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.414176 205.0
[M+Na]+ 387.396118 203.9
[M-H]- 363.399624 204.7
[M+NH4]+ 382.440723 217.9
[M+K]+ 403.370058 198.4
[M+H-H2O]+ 347.404160 196.7
[M+HCOO]- 409.405101 219.3
[M+CH3COO]- 423.420751 225.9
[M+Na-2H]- 385.381566 199.5
[M]+ 364.40635142 207.5
[M]- 364.40744858 207.5
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