CID 41310

5-propyltridecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCCCCCCC(CCC)CCCC
InChI
InChI=1S/C16H34/c1-4-7-9-10-11-12-15-16(13-6-3)14-8-5-2/h16H,4-15H2,1-3H3
InChIKey
SCMYWAVVKSTDNI-UHFFFAOYSA-N
Compound name
5-propyltridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

104
Patents

226.26605 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 165.2
[M+Na]+ 249.255268 168.1
[M-H]- 225.258774 163.8
[M+NH4]+ 244.299873 183.8
[M+K]+ 265.229208 165.8
[M+H-H2O]+ 209.263310 159.2
[M+HCOO]- 271.264251 184.7
[M+CH3COO]- 285.279901 198.5
[M+Na-2H]- 247.240716 165.7
[M]+ 226.26550142 169.7
[M]- 226.26659858 169.7
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