CID 19774

2,6,10-trimethyltridecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C16H34/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h14-16H,6-13H2,1-5H3
InChIKey
MSRQAOLBRXEIHE-UHFFFAOYSA-N
Compound name
2,6,10-trimethyltridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

226.26605 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 165.9
[M+Na]+ 249.255268 168.4
[M-H]- 225.258774 164.7
[M+NH4]+ 244.299873 184.3
[M+K]+ 265.229208 166.9
[M+H-H2O]+ 209.263310 160.1
[M+HCOO]- 271.264251 183.4
[M+CH3COO]- 285.279901 200.1
[M+Na-2H]- 247.240716 163.8
[M]+ 226.26550142 169.0
[M]- 226.26659858 169.0
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

patents stripe