CID 154011872

11-hexyltricosane

Structural Information

Molecular Formula
C29H60
SMILES
CCCCCCCCCCCCC(CCCCCC)CCCCCCCCCC
InChI
InChI=1S/C29H60/c1-4-7-10-13-15-17-18-20-22-25-28-29(26-23-12-9-6-3)27-24-21-19-16-14-11-8-5-2/h29H,4-28H2,1-3H3
InChIKey
NVINEHXTBQBDLM-UHFFFAOYSA-N
Compound name
11-hexyltricosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

408.4695 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.476776 223.0
[M+Na]+ 431.458718 220.4
[M-H]- 407.462224 218.8
[M+NH4]+ 426.503323 234.0
[M+K]+ 447.432658 214.5
[M+H-H2O]+ 391.466760 214.4
[M+HCOO]- 453.467701 238.0
[M+CH3COO]- 467.483351 236.8
[M+Na-2H]- 429.444166 216.4
[M]+ 408.46895142 232.3
[M]- 408.47004858 232.3
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

patents stripe