CID 243269

6-pentylundecane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

226.26605 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.27333 165.2
[M+Na]+ 249.25527 168.1
[M-H]- 225.25877 163.8
[M+NH4]+ 244.29987 183.8
[M+K]+ 265.22921 165.8
[M+H-H2O]+ 209.26331 159.2
[M+HCOO]- 271.26425 184.7
[M+CH3COO]- 285.27990 198.5
[M+Na-2H]- 247.24072 165.7
[M]+ 226.26550 169.7
[M]- 226.26660 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