CID 41379

1,3,5-trimethyl-2-octadecylcyclohexane

Structural Information

Molecular Formula
C27H54
SMILES
CCCCCCCCCCCCCCCCCCC1C(CC(CC1C)C)C
InChI
InChI=1S/C27H54/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-25(3)22-24(2)23-26(27)4/h24-27H,5-23H2,1-4H3
InChIKey
SLYADMRXVMOLJY-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-2-octadecylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

378.42255 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.42983 208.7
[M+Na]+ 401.41177 208.2
[M-H]- 377.41527 208.7
[M+NH4]+ 396.45637 221.4
[M+K]+ 417.38571 202.4
[M+H-H2O]+ 361.41981 200.6
[M+HCOO]- 423.42075 222.7
[M+CH3COO]- 437.43640 230.0
[M+Na-2H]- 399.39722 202.2
[M]+ 378.42200 212.0
[M]- 378.42310 212.0
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

No patent data available for this compound.