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

31
Patents

282.32864 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.335916 184.0
[M+Na]+ 305.317858 185.1
[M-H]- 281.321364 181.9
[M+NH4]+ 300.362463 200.3
[M+K]+ 321.291798 182.0
[M+H-H2O]+ 265.325900 177.4
[M+HCOO]- 327.326841 201.2
[M+CH3COO]- 341.342491 211.2
[M+Na-2H]- 303.303306 181.0
[M]+ 282.32809142 189.3
[M]- 282.32918858 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.