CID 10826797

5s,9s-dimethyloctadecane

Structural Information

Molecular Formula
C20H42
SMILES
CCCCCCCCC[C@H](C)CCC[C@@H](C)CCCC
InChI
InChI=1S/C20H42/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h19-20H,5-18H2,1-4H3/t19-,20-/m0/s1
InChIKey
MEHFAVZCNHHAMJ-PMACEKPBSA-N
Compound name
(5S,9S)-5,9-dimethyloctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

282.32864 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.33592 184.0
[M+Na]+ 305.31786 185.1
[M-H]- 281.32136 181.9
[M+NH4]+ 300.36246 200.3
[M+K]+ 321.29180 182.0
[M+H-H2O]+ 265.32590 177.4
[M+HCOO]- 327.32684 201.2
[M+CH3COO]- 341.34249 211.2
[M+Na-2H]- 303.30331 181.0
[M]+ 282.32809 189.3
[M]- 282.32919 189.3
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.