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

1
Patents

408.4695 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.47678 223.0
[M+Na]+ 431.45872 220.4
[M-H]- 407.46222 218.8
[M+NH4]+ 426.50332 234.0
[M+K]+ 447.43266 214.5
[M+H-H2O]+ 391.46676 214.4
[M+HCOO]- 453.46770 238.0
[M+CH3COO]- 467.48335 236.8
[M+Na-2H]- 429.44417 216.4
[M]+ 408.46895 232.3
[M]- 408.47005 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