CID 5248503

Refchem:932777

Structural Information

Molecular Formula
C15H34N
SMILES
CCCC[N+](CCC)(CCCC)CCCC
InChI
InChI=1S/C15H34N/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h5-15H2,1-4H3/q+1
InChIKey
OTMZBTFLNZOUEP-UHFFFAOYSA-N
Compound name
tributyl(propyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

545
References

270
Patents

228.26912 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.276396 161.4
[M+Na]+ 251.258338 165.0
[M-H]- 227.261844 162.0
[M+NH4]+ 246.302943 180.4
[M+K]+ 267.232278 158.2
[M+H-H2O]+ 211.266380 158.5
[M+HCOO]- 273.267321 182.8
[M+CH3COO]- 287.282971 196.2
[M+Na-2H]- 249.243786 167.4
[M]+ 228.26857142 165.1
[M]- 228.26966858 165.1
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